SCHEMBL15327064

SCHEMBL15327064

Cc1csc2c(NC(C)c3cc4cc(Cl)ccc4nc3N3CCNC(=O)C3)ncnc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 19/20 0.45
LPAR1 Q92633 16/20 0.45
ADRB3 P13945 1/20 0.39
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
LPAR4 Q99677 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GPR35 Q9HC97 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
PIK3CD O00329 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
SCHEMBL14574775 0.86 LPAR2 (0.43) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL14574774 0.86 LPAR2 (0.43) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL15327069 0.83 RAB9A (0.39) PIK3CD
SCHEMBL15899984 0.83 PIK3CD (0.46) PIK3CD
SCHEMBL15327098 0.82 PIK3CD (0.38) PIK3CD
SCHEMBL17530792 0.81 IDH1 (0.44) PIK3CD
SCHEMBL17530774 0.81 IDH1 (0.46)
SCHEMBL17530772 0.79 IDH1 (0.42) PIK3CD
SCHEMBL17530767 0.76 IDH1 (0.42)
SCHEMBL17530787 0.73 DPP4 (0.37) OPRK1PIK3CD

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-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 EP claimed