SCHEMBL3401026

SCHEMBL3401026

Bc1ccc(=O)n(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
NR4A2 P43354 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 2/20 0.30
GMNN O75496 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL220816 0.77 MGLL (0.44) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL11983452 0.76 ALDH1A1 (0.60) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL16190092 0.74 NPY5R (0.39) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL15393378 0.74 CREBBP (0.39) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL12575366 0.74 MAPT (0.43) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL25153722 0.74 MAP2K2 (0.40) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL12217560 0.74 CREBBP (0.42) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL252411 0.74 KMT2A (0.41) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL9950301 0.74 KDM4E (0.40) CREBBPMAPTALDH1A1POLBKDM4E
SCHEMBL15360158 0.74 MAPT (0.50) CREBBPMAPTALDH1A1POLBKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203205-A Triazolone, tetrazolone and imidazolone or salts thereof, and pharmaceutical compositions containing the same 柳韩洋行 2023-12-08 CN disclosed
EP-3878850-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-09-15 EP disclosed
EP-3558979-B1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-02-17 EP disclosed
WO-2018115380-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-28 WO disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed