SCHEMBL31459341

SCHEMBL31459341

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ AR P10275 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31
▸ KDR P35968 2/20 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

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
SCHEMBL31459127 0.79 AR (0.31) AR
SCHEMBL31459326 0.79 HTR2A (0.33) AR
SCHEMBL31459263 0.78 GRM2 (0.33) ROCK1ARKDRPLK4ROCK2
SCHEMBL31459414 0.78 AR (0.31) AR
SCHEMBL29514638 0.71 ROCK1 (0.41) ROCK1PIM1CSNK1A1CDK5DYRK1A
SCHEMBL21200262 0.71 ROCK1 (0.41) ROCK1PIM1CSNK1A1CDK5DYRK1A
SCHEMBL27086145 0.68 CLK4 (0.49) ROCK1PIM1CSNK1A1CDK5DYRK1A
SCHEMBL31159152 0.66 GRM5 (0.36) ROCK1PIM1CLK4ARKDR
SCHEMBL22663398 0.65 PIM1 (0.49) ROCK1PIM1CSNK1A1CDK5DYRK1A
SCHEMBL25186469 0.65 HTR2A (0.38) ROCK1PIM1CSNK1A1CDK5DYRK1A

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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