SCHEMBL30605852

SCHEMBL30605852

O=Cc1cc2c(c(C(F)(F)F)c1F)CNC2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.37
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ KDR P35968 3/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31

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
SCHEMBL30605848 0.87 GRM2 (0.36) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL27085985 0.83 GRM2 (0.41) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL31459127 0.73 AR (0.31) —
SCHEMBL30605849 0.70 CLK4 (0.42) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL21200740 0.70 GRM2 (0.35) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL30598890 0.70 GRM2 (0.35) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL27086002 0.69 GRM2 (0.40) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL30004086 0.68 GRM2 (0.42) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL27086356 0.68 GRM2 (0.42) GRM2PIK3CDPIK3CBPIK3CAKDR
SCHEMBL27086522 0.67 CLK4 (0.44) KDRPIM1ROCK1CLK4DYRK1B

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
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