SCHEMBL13421386

SCHEMBL13421386

COCCNc1cc(Nc2ccc(C)c(N)c2)nn2c(N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.39
▸ CSNK2A2 P19784 1/20 0.35
▸ PDE4D Q08499 6/20 0.35
▸ FYN P06241 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 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
SCHEMBL13421530 0.86 TYK2 (0.41) TYK2CSNK2A2PDE4DCDK2
SCHEMBL13421552 0.86 MAPK14 (0.42) TYK2PDE4D
SCHEMBL13421911 0.85 FYN (0.35) TYK2CSNK2A2PDE4DFYNCCNE1
SCHEMBL13421756 0.84 TYK2 (0.40) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421341 0.80 TYK2 (0.35) TYK2PDE4DCCNE1CDK2FLT3
SCHEMBL13421759 0.80 TYK2 (0.41) TYK2PDE4DFYNALDH1A1CCNE1
SCHEMBL13421374 0.80 TYK2 (0.41) TYK2PDE4DFYNALDH1A1CCNE1
SCHEMBL13421554 0.79 TYK2 (0.36) TYK2CSNK2A2PDE4DFYNCCNE1
SCHEMBL13421534 0.78 TYK2 (0.53) TYK2CSNK2A2PDE4DCCNE1CDK2
SCHEMBL13422017 0.78 TYK2 (0.40) TYK2PDE4DFYNMKNK1

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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