SCHEMBL22047751

SCHEMBL22047751

COc1ncc(-c2cnn(C)c2)cc1C=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.60
FGFR3 P22607 10/20 0.44
FGFR2 P21802 10/20 0.44
FGFR1 P11362 7/20 0.44
FGFR4 P22455 7/20 0.42
MET P08581 3/20 0.40
KDR P35968 5/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL992070 0.79 ERN1 (0.55) ERN1FGFR3FGFR2FGFR1MET
SCHEMBL24922493 0.78 PIK3CA (0.46) ERN1FGFR3FGFR2FGFR1FGFR4
SCHEMBL22047858 0.78 MAPT (0.58) ERN1FGFR3FGFR2FGFR1FGFR4
SCHEMBL12427762 0.76 MAPT (0.59) ERN1PIK3CG
SCHEMBL18717287 0.75 ERN1 (0.72) ERN1FGFR3FGFR2FGFR1PIK3CD
SCHEMBL12766775 0.75 ERN1 (1.00) ERN1
SCHEMBL5781823 0.75 AURKA (0.60) ERN1PIK3CDPIK3CAPIK3CG
SCHEMBL12427764 0.74 ERN1 (0.54) ERN1PIK3CA
SCHEMBL5782678 0.72 ERN1 (0.61) ERN1
SCHEMBL9888143 0.71 ALK (0.51) ERN1ACVR1

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-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed