SCHEMBL28200609

SCHEMBL28200609

[CH2]Cc1cn(Cc2ccncc2)cc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK14 Q16539 7/20 0.39
MAPK13 O15264 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 1/20 0.38
GCGR P47871 1/20 0.37
MAPT P10636 1/20 0.35
KDR P35968 2/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL28199991 0.79 BRD4 (0.35) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL28200012 0.78 BRD4 (0.32)
SCHEMBL15334046 0.74 MAPK14 (0.48) MAPK14CSNK1DGCGR
SCHEMBL28229642 0.73 MET (0.36) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15334179 0.69 CHRM1 (0.45)
SCHEMBL14066949 0.68 DYRK1A (0.54) NFATC1GSK3BDYRK1AMAPK14MAPK13
SCHEMBL15333143 0.67 CHRM1 (0.46)
SCHEMBL27590581 0.66 CYP11B1 (0.42) DYRK1ACYP11B1CYP11B2CYP19A1MAPT
SCHEMBL1644870 0.64 MAPK14 (0.65) NFATC1GSK3BDYRK1AMAPK14MAPK13
SCHEMBL28199937 0.64 NR4A2 (0.33) GSK3BMAPTKDRGRM2

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
CN-104185627-B Pyridone Derivatives 第三共株式会社 2018-01-12 CN disclosed