SCHEMBL4632643

SCHEMBL4632643

COc1ccccc1C(=O)Nc1n[nH]c2sc(OC(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 6/20 0.47
CDC7 O00311 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
RAB9A P51151 6/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL4632642 0.86 ADORA3 (0.48) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL4632550 0.85 RAB9A (0.46) NPC1RAB9AKMT2ARXFP1L3MBTL1
SCHEMBL2411496 0.83 KCNK3 (0.52) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL4633594 0.83 FGFR1 (0.48) ADORA3NPC1MAP4K4CDK2GSK3B
SCHEMBL3876663 0.82 GAA (0.53) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL2415616 0.81 L3MBTL1 (0.46) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL4632622 0.81 HDAC6 (0.53) ADORA3NPC1CDK2RAB9AKCNK9
SCHEMBL2416143 0.81 NPC1 (0.43) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL2416490 0.81 CDC7 (0.45) ADORA3ADORA2AADORA1NPC1CDC7
SCHEMBL4633322 0.80 SMN1; SMN2 (0.53) NPC1CDC7MAP4K4CDK2HIPK2

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