SCHEMBL6506684

SCHEMBL6506684

Cc1c(N2CC3CCC(C(N)CC#N)C3C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
KCNH2 Q12809 2/20 0.32
MAPKAPK3 Q16644 2/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
FLT4 P35916 1/20 0.31
PRKCD Q05655 1/20 0.31
PAK1 Q13153 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MATK P42679 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIM3 Q86V86 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL6501496 0.90 KCNH2 (0.34) KCNH2
SCHEMBL6501206 0.77 KCNH2 (0.31) CSNK2A1CSNK2A2CSNK2BKCNH2MAPKAPK3
SCHEMBL6502697 0.73 KCNH2 (0.61) KCNH2
SCHEMBL6506826 0.72 KCNH2 (0.35) CSNK2A1CSNK2A2CSNK2BKCNH2
SCHEMBL6502846 0.70 KCNH2 (0.50) KCNH2
SCHEMBL6509717 0.68 KCNH2 (0.32) KCNH2
SCHEMBL6532101 0.66 KCNH2 (0.63) KCNH2
SCHEMBL1558105 0.64 ALDH1A1 (0.37) CSNK2A1CSNK2A2CSNK2BKCNH2MAPKAPK3
SCHEMBL1552485 0.64 ALDH1A1 (0.37) CSNK2A1CSNK2A2CSNK2BKCNH2MAPKAPK3
SCHEMBL8113361 0.63 KDM4E (0.40) KCNH2MAPKAPK3RPS6KB1MATKDYRK1A

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-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed