SCHEMBL29089792

SCHEMBL29089792

O=C1NCc2c1cc(CO)cc2C(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.40
▸ PIK3CD O00329 5/20 0.36
▸ PIK3CB P42338 5/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ PIK3CG P48736 2/20 0.34
▸ KDR P35968 3/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL29841679 1.00 GRM2 (0.40) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL27085852 0.81 GRM2 (0.44) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL32686609 0.78 PIK3CD (0.38) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL32686323 0.77 GRM2 (0.33) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL29238286 0.76 GRM2 (0.40) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL32686499 0.76 CDK5 (0.41) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL27085865 0.76 PIM1 (0.49) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL32686624 0.76 CLK1 (0.38) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL29841781 0.76 HTR2A (0.38) GRM2PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21200175 0.76 HTR2A (0.38) GRM2PIK3CDPIK3CBPIK3CAPIK3CG

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-116888112-A Lactams as CBL-B inhibitors 基因泰克公司 2023-10-13 — — CN disclosed
Send feedback