SCHEMBL4574851

SCHEMBL4574851

N#Cc1ccc(Oc2nc(-c3ccnc(Cl)c3)nc3ccsc23)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 6/20 0.38
▸ SCN9A Q15858 2/20 0.36
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MET P08581 2/20 0.33
▸ ICMT O60725 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL4573992 0.87 MAPK1 (0.44) PRKCISCN9ACYP2C9CYP2C19MAPK1
SCHEMBL14104167 0.86 KDM4E (0.35) PRKCISCN9ACYP2C9CYP2C19MET
SCHEMBL4738829 0.86 NR1I3 (0.40) PRKCISCN9ACYP2C9CYP2C19MAPK1
SCHEMBL9881228 0.85 PRKCI (0.43) PRKCICYP2C9CYP2C19KDR
SCHEMBL4743431 0.84 MAPK1 (0.40) CYP2C9CYP2C19MAPK1
SCHEMBL4740295 0.84 PTGS1 (0.40) PRKCISCN9ACYP2C9CYP2C19MET
SCHEMBL14104079 0.83 CYP1A2 (0.36) PRKCISCN9ACYP2C9CYP2C19ICMT
SCHEMBL11990372 0.83 AR (0.39) PRKCISCN9ACYP2C9CYP2C19ICMT
SCHEMBL14103888 0.82 PIK3CA (0.37) PRKCISCN9ACYP2C9CYP2C19MET
SCHEMBL14103801 0.82 PIK3CA (0.43) PRKCISCN9ACYP2C9CYP2C19ICMT

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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