SCHEMBL4573992

SCHEMBL4573992

N#Cc1ccc(Oc2nc(-c3ccncc3)nc3ccsc23)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ PRKCI P41743 9/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PKN1 Q16512 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL4743431 0.91 MAPK1 (0.40) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4740295 0.91 PTGS1 (0.40) MAPK1PRKCISCN9AABCG2CYP2C9
SCHEMBL14104167 0.89 KDM4E (0.35) MAPK1PRKCISCN9ACYP2C9CYP2C19
SCHEMBL14103888 0.89 PIK3CA (0.37) MAPK1PRKCISCN9AABCG2CYP2C9
SCHEMBL14103767 0.88 HTT (0.43) ABCG2CYP2C9CYP2C19MAPT
SCHEMBL4574851 0.87 PRKCI (0.38) MAPK1PRKCISCN9ACYP2C9CYP2C19
SCHEMBL4574977 0.86 MAPK1 (0.51) MAPK1PRKCIPDE4APDE4BPDE4C
SCHEMBL14104079 0.86 CYP1A2 (0.36) MAPK1PRKCISCN9AABCG2CYP2C9
SCHEMBL14095137 0.85 ABCG2 (0.41) SCN9AABCG2CYP2C9CYP2C19MAPT
SCHEMBL11990372 0.85 AR (0.39) MAPK1PRKCISCN9AABCG2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO claimed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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