SCHEMBL13421530

SCHEMBL13421530

COCCNc1cc(Nc2ccc(C)c(NC(C)=O)c2)nn2c(N)cnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.41
▸ MAPK14 Q16539 8/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ PDE4D Q08499 4/20 0.37
▸ LCK P06239 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ BRAF P15056 1/20 0.35

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
SCHEMBL13421552 0.93 MAPK14 (0.42) TYK2MAPK14KDRPDE4D
SCHEMBL3310314 0.87 KCNH2 (0.44) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13421386 0.86 TYK2 (0.39) TYK2CSNK2A2CDK2PDE4D
SCHEMBL13422030 0.86 TYK2 (0.42) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13422028 0.83 MAPK14 (0.41) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13421572 0.83 KCNH2 (0.44) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13421481 0.81 TYK2 (0.55) TYK2KCNH2DYRK3CSNK2A2CDK2
SCHEMBL11996471 0.81 MAPK14 (0.40) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13421587 0.81 KCNH2 (0.37) TYK2MAPK14KCNH2DYRK3CSNK2A2
SCHEMBL13421762 0.80 CDK2 (0.40) TYK2MAPK14KCNH2DYRK3CSNK2A2

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-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
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