SCHEMBL31459263

SCHEMBL31459263

O=C1NCc2c(C(F)(F)F)cc(CO)c(F)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.33
▸ JAK3 P52333 3/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ KDR P35968 5/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ FRK P42685 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
SCHEMBL31459414 0.86 AR (0.31) AR
SCHEMBL31459341 0.78 ROCK1 (0.36) GRM2KDRPLK4ROCK2NTRK1
SCHEMBL31459326 0.75 HTR2A (0.33) HTR2AHTR2CHTR2BAR
SCHEMBL31459127 0.75 AR (0.31) AR
SCHEMBL31458961 0.72 CBLB (0.38) —
SCHEMBL27086006 0.71 GRM2 (0.47) GRM2PIK3CDPIK3CAPIK3CBKDR
SCHEMBL29841781 0.71 HTR2A (0.38) GRM2HTR2AHTR2CHTR2BPIK3CD
SCHEMBL21200175 0.71 HTR2A (0.38) GRM2HTR2AHTR2CHTR2BPIK3CD
SCHEMBL25412815 0.68 GRM2 (0.35) GRM2PIK3CDPIK3CAPIK3CBKDR
SCHEMBL31159152 0.66 GRM5 (0.36) HTR2AHTR2CHTR2BPIK3CDPIK3CA

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-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 — — WO disclosed
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