SCHEMBL12283230

SCHEMBL12283230

Bc1cc(C(=O)NCCCNC(=O)OC(C)(C)C)c2c(N)ncnn12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 8/20 0.67
▸ CSNK2A1 P68400 8/20 0.67
▸ CSNK1D P48730 1/20 0.42
▸ RIPK1 Q13546 6/20 0.39
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 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
SCHEMBL14634800 0.88 CSNK2A2 (0.67) CSNK2A2CSNK2A1CSNK1DRIPK1STK17B
SCHEMBL12283706 0.83 CSNK2A2 (0.95) CSNK2A2CSNK2A1
SCHEMBL12283438 0.70 NTRK1 (0.38) CSNK2A2CSNK2A1
SCHEMBL12284245 0.68 CSNK2A2 (0.68) CSNK2A2CSNK2A1
SCHEMBL14635504 0.68 CSNK2A2 (1.00) CSNK2A2CSNK2A1
SCHEMBL22767691 0.67 TDP1 (0.56) STK17BSTK17AMAOAMAOBCA12
SCHEMBL31245898 0.67 TDP1 (0.49) CSNK2A2CSNK2A1STK17BSTK17ACCNC
SCHEMBL31246004 0.67 TDP1 (0.49) CSNK2A2CSNK2A1STK17BSTK17ACCNC
SCHEMBL22123680 0.66 CSNK2A2 (0.44) CSNK2A2CSNK2A1CSNK1DCCNCCDK8
SCHEMBL21366005 0.66 CSNK1D (0.48) CSNK2A2CSNK2A1CSNK1DSTK17BSTK17A

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
WO-2011123493-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO disclosed
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