SCHEMBL31037906

SCHEMBL31037906

Brc1cccc(Br)c1N=C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
NISCH Q9Y2I1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM1 P11309 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK5 Q00535 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL31037912 1.00 PARP10 (0.35) PARP10PARP11NISCHKDM4EHSD17B10
SCHEMBL31546236 0.95 PARP10 (0.34) PARP10PARP11NISCHKDM4EHSD17B10
SCHEMBL31546222 0.95 PARP10 (0.34) PARP10PARP11NISCHKDM4EHSD17B10
SCHEMBL10885068 0.78 MAPT (0.35) NISCHKDM4EHSD17B10DYRK1ACLK4
SCHEMBL10885072 0.78 MAPT (0.35) NISCHKDM4EHSD17B10DYRK1ACLK4
SCHEMBL11251790 0.77 PARP10 (0.33) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL4716982 0.72 PARP10 (0.35) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL10896436 0.71 MAPT (0.43) NISCHKDM4ELRRK2
SCHEMBL11651390 0.71 MAPT (0.43) NISCHKDM4ELRRK2
SCHEMBL31546240 0.68 HTR1A (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731163-A KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2025-03-28 CN disclosed
CN-118666851-A Condensed ring KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-09-20 CN disclosed