SCHEMBL7710253

SCHEMBL7710253

COc1ccc(CCNc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1OC.N#CC(c1ccnc(NCCc2ccc(N)cc2)n1)c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.63
MAPK9 P45984 10/20 0.63
MAPK8 P45983 2/20 0.63
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
APP P05067 2/20 0.42
KDM4E B2RXH2 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
TTR P02766 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2885601 0.95 MAPK10 (0.69) MAPK10MAPK9MAPK8CCNT1CCNA2
SCHEMBL2884761 0.90 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2883033 0.86 MAPK10 (0.72) MAPK10MAPK9MAPK8CCNT1CCNA2
SCHEMBL2878978 0.84 MAPK10 (0.71) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2879038 0.83 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL4022971 0.83 MAPK10 (0.84) MAPK10MAPK9MAPK8CCNT1CCNA2
SCHEMBL4023159 0.82 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2886187 0.82 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2881373 0.82 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL4026673 0.82 MAPK10 (0.75) MAPK10MAPK9MAPK8CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed