SCHEMBL23950744

SCHEMBL23950744

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cc3c(=O)n(C4CCCC[C@@H]4O)cnc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
ALOX5 P09917 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
NPBWR1 P48145 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL23925837 1.00 KCNH2 (0.41) KCNH2ALOX5CHRM1CYP2C9TYK2
SCHEMBL23950287 1.00 KCNH2 (0.41) KCNH2ALOX5CHRM1CYP2C9TYK2
SCHEMBL23950763 0.89 KCNH2 (0.44) KCNH2ALOX5CHRM1CYP2C9TYK2
SCHEMBL30101847 0.87 PIK3CA (0.39) FGFR2FGFR3EPHB4TEKAXL
SCHEMBL23950919 0.87 PIK3CA (0.39) FGFR2FGFR3EPHB4TEKAXL
SCHEMBL30101984 0.86 EGFR (0.37) KCNH2FGFR2FGFR3EPHB4TEK
SCHEMBL23925838 0.86 EGFR (0.37) KCNH2FGFR2FGFR3EPHB4TEK
SCHEMBL25463143 0.86 PIK3CA (0.40) TYK2FGFR2FGFR3EPHB4TEK
SCHEMBL30102054 0.86 PIK3CA (0.40) TYK2FGFR2FGFR3EPHB4TEK
SCHEMBL23950665 0.85 KCNH2 (0.51) KCNH2ALOX5CHRM1CYP2C9TRPV3

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-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 WO disclosed