SCHEMBL30068832

SCHEMBL30068832

O=C1NCc2c(Br)cc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ LRRK2 Q5S007 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ DYRK1B Q9Y463 1/20 0.53
▸ KDR P35968 3/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MET P08581 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ MST1R Q04912 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40

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
SCHEMBL25260852 1.00 PIM1 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL24886285 0.82 PARP10 (0.56) MAP2K1PARP10PARP1F7F3
SCHEMBL11346836 0.81 MEN1 (0.44) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL24147834 0.78 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL25411512 0.78 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1334392 0.78 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL31458870 0.77 CDK5 (0.49) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1335593 0.75 LRRK2 (0.50) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL25415363 0.75 CDK5 (0.50) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL30598935 0.75 CDK5 (0.50) PIM1CSNK1A1CDK5ROCK1DYRK1A

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-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 — — WO disclosed
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