SCHEMBL160408

SCHEMBL160408

C=CC(=O)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
TGM2 P21980 2/20 0.61
RAB9A P51151 9/20 0.60
NPC1 O15118 7/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
PKM P14618 1/20 0.59
HIF1A Q16665 1/20 0.57
BTK Q06187 1/20 0.56
NAMPT P43490 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 1/20 0.52
BLM P54132 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28168455 0.92 TP53 (0.59) TP53ALDH1A1KDM4ETGM2RAB9A
SCHEMBL13134387 0.87 TP53 (0.56) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL15293594 0.83 RAB9A (0.56) TP53ALDH1A1KDM4ETGM2RAB9A
SCHEMBL10031600 0.82 MEN1 (0.59) ALDH1A1TGM2LMNAHTTNAMPT
SCHEMBL4987866 0.81 NPC1 (0.73) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL569878 0.79 RAB9A (0.65) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL1003318 0.79 RAB9A (0.65) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL17667093 0.79 ALDH1A1 (1.00) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL14164232 0.79 ALDH1A1 (0.71) TP53ALDH1A1KDM4ERAB9ANPC1
SCHEMBL17667095 0.79 ALDH1A1 (1.00) TP53ALDH1A1KDM4ERAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO claimed
JP-4828407-B2 2011-11-30 JP claimed
JP-4555547-B2 2010-10-06 JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO disclosed
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-109207110-B Hybrid cross-linked dynamic polymer 厦门天策材料科技有限公司 2022-08-12 CN disclosed
EP-3535243-B1 SUBSTITUTED 9H-XANTHEN-9-ONE, 9H-THIOXANTHEN-9-ONE AND ACRIDIN-9(10H)-ONE DERIVATIVES AND RELATED COMPOUNDS CSF-1R INHIBITORS FOR THE TREATMENT OF CANCER AUCKLAND UNISERVICES LTD (NZ) 2021-12-15 EP disclosed
EP-3535243-B1 SUBSTITUTED 9H-XANTHEN-9-ONE, 9H-THIOXANTHEN-9-ONE AND ACRIDIN-9(10H)-ONE DERIVATIVES AND RELATED COMPOUNDS CSF-1R INHIBITORS FOR THE TREATMENT OF CANCER AUCKLAND UNISERVICES LTD (NZ) 2021-12-15 EP disclosed
US-20100055610-A1 HEAT SENSITIVE POSITIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-03-04 US disclosed
EP-2159049-A1 A heat-sensitive positive-working lithographic printing plate precursor Agfa Graphics N.V. (BE) 2010-03-03 EP disclosed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed