SCHEMBL4633322

SCHEMBL4633322

COc1cccc(C(=O)Nc2n[nH]c3sc(OC(=O)O)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
HDAC6 Q9UBN7 1/20 0.48
CDK2 P24941 2/20 0.47
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PRKACA P17612 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
PRKX P51817 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL4632622 0.88 HDAC6 (0.53) SMN1; SMN2NPC1RAB9AHDAC6CDK2
SCHEMBL4633594 0.87 FGFR1 (0.48) NPC1RAB9AHDAC6CDK2JAK2
SCHEMBL4632762 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHDAC6CDK2
SCHEMBL4631794 0.85 AURKA (0.46) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL2413051 0.82 RXFP1 (0.57) SMN1; SMN2NPC1RAB9AKCNK3KCNK9
SCHEMBL4632668 0.81 CDK7 (0.50) SMN1; SMN2NPC1RAB9ACDK2ROCK2
SCHEMBL4631749 0.80 CDK2 (0.49) SMN1; SMN2HDAC6CDK2JAK2MAP4K4
SCHEMBL4632643 0.80 ADORA3 (0.47) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL2415951 0.79 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHDAC6CDK2
SCHEMBL4632650 0.79 HDAC6 (0.42) SMN1; SMN2NPC1RAB9AHDAC6CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed