SCHEMBL31458870

SCHEMBL31458870

O=C1NCc2c(Br)cc(CCl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ CSNK1A1 P48729 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49
▸ GRM2 Q14416 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ KDR P35968 2/20 0.31
▸ MST1R Q04912 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MET P08581 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ FLT3 P36888 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
SCHEMBL27085865 0.87 PIM1 (0.49) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL22990374 0.84 PARP10 (0.51) PARP10PARP11MAP2K1
SCHEMBL29698311 0.84 PARP10 (0.51) PARP10PARP11MAP2K1
SCHEMBL25260852 0.77 PIM1 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL30068832 0.77 PIM1 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21199913 0.76 GRM2 (0.35) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25412348 0.76 HRH3 (0.44) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25411512 0.74 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24147834 0.74 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25959471 0.72 PIM1 (0.38) CDK5DYRK1ACLK4PIM1CSNK1A1

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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