SCHEMBL6501206

SCHEMBL6501206

Cc1c(N2CC3CCCC3(C(N)CC#N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.31
CSNK2A1 P68400 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
FLT4 P35916 1/20 0.30
PRKCD Q05655 1/20 0.30
PAK1 Q13153 1/20 0.30
MAPKAPK3 Q16644 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL6509717 0.91 KCNH2 (0.32) KCNH2
SCHEMBL6506826 0.81 KCNH2 (0.35) KCNH2CSNK2A1CSNK2A2CSNK2B
SCHEMBL6506684 0.77 CSNK2A1 (0.32) KCNH2CSNK2A1CSNK2A2CSNK2BPIM1
SCHEMBL6507753 0.75 KCNH2 (0.60) KCNH2
SCHEMBL6509190 0.72 KCNH2 (0.47) KCNH2
SCHEMBL6503701 0.70 KCNH2 (0.60) KCNH2
SCHEMBL6501496 0.68 KCNH2 (0.34) KCNH2
SCHEMBL8113361 0.62 KDM4E (0.40) KCNH2MAPKAPK3
SCHEMBL1628321 0.62 KCNH2 (0.38) KCNH2CSNK2A1PIM1CDK2FLT4
SCHEMBL6670523 0.61 LMNA (0.53) KCNH2CSNK2A1CSNK2A2CSNK2BMAPKAPK3

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