SCHEMBL3675800

SCHEMBL3675800

Cc1c(-n2ccc3ccccc32)ccnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK1 Q13464 1/20 0.43
MYC P01106 1/20 0.40
MCL1 Q07820 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL28865946 0.82 MYC (0.50) CDK2CDC7ROCK1MYCMCL1
SCHEMBL3675798 0.81 CDK2 (0.43) CDK2CDC7ROCK1MYCMCL1
SCHEMBL3685234 0.76 NOTUM (0.43) MYCMCL1NOTUMHSP90AA1KMT2A
SCHEMBL484192 0.76 MYC (0.46) MYCMCL1NOTUMHSP90AA1KMT2A
SCHEMBL27470054 0.75 MCL1 (0.42) MCL1NOTUMHSP90AA1KMT2ATSHR
SCHEMBL25336730 0.73 HTT (0.44) CDK2CDC7ROCK1MCL1NOTUM
SCHEMBL27710040 0.71 HSP90AA1 (0.41) MYCMCL1NOTUMHSP90AA1KMT2A
SCHEMBL28436731 0.70 L3MBTL1 (0.56) MYCMCL1NOTUMHSP90AA1KMT2A
SCHEMBL21310983 0.69 CDC7 (0.51) CDK2CDC7ROCK1MAPK8MAPK9
SCHEMBL28798217 0.69 CDC7 (0.46) CDK2CDC7ROCK1L3MBTL1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP claimed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO claimed
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed