SCHEMBL4197930

SCHEMBL4197930

N#CCC1C=CN=C(N2CCC(Cc3ccccc3)CC2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
PDE10A Q9Y233 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPK1 P28482 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6828236 0.95 MEN1 (0.39) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL4194844 0.88 RAB9A (0.39) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4195517 0.87 DPP4 (0.40) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4199975 0.87 NPC1 (0.40) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4197211 0.84 SCN4A (0.38) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4198007 0.84 RAB9A (0.42) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4197998 0.84 NPC1 (0.53) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL4199997 0.83 HTR1A (0.42) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL6017501 0.81 ALDH1A1 (0.37) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4195581 0.80 USP2 (0.52) RAB9AMEN1KMT2ANPC1ALDH1A1

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
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 EP disclosed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed