SCHEMBL436747

SCHEMBL436747

Cc1ccc(Cl)c2c(N)c(Br)cnc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
PLK4 O00444 2/20 0.32
AURKA O14965 2/20 0.32
DAPK3 O43293 2/20 0.32
CDK1 P06493 2/20 0.32
PIM1 P11309 2/20 0.32
CDK2 P24941 2/20 0.32
SYK P43405 2/20 0.32
CLK2 P49760 2/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
CSNK2A1 P68400 2/20 0.32
PRKAA1 Q13131 2/20 0.32
CAMK2B Q13554 2/20 0.32
CAMK2G Q13555 2/20 0.32
CAMK2D Q13557 2/20 0.32
DYRK1A Q13627 2/20 0.32
TAOK1 Q7L7X3 2/20 0.32
PIM3 Q86V86 2/20 0.32
AURKB Q96GD4 2/20 0.32

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
SCHEMBL436403 0.86 POLB (0.38) DYRK1AMEN1MAPTKMT2ALMNA
SCHEMBL439672 0.86 DYRK1A (0.35) PLK4AURKADAPK3CDK1PIM1
SCHEMBL437482 0.84 CYP3A4 (0.35) CYP3A4MEN1MAPTKMT2ALMNA
SCHEMBL438319 0.80 NQO2 (0.36) DYRK1AMEN1MAPTKMT2ALMNA
SCHEMBL436692 0.75 POLB (0.38) CYP3A4DYRK1AMEN1MAPTKMT2A
SCHEMBL442158 0.75 HAVCR2 (0.54) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL440009 0.73 HAVCR2 (0.38) MEN1MAPTKMT2A
SCHEMBL436999 0.73 NQO2 (0.36) DYRK1AMEN1MAPTKMT2ALMNA
SCHEMBL21979409 0.70 CCR1 (0.36) CYP3A4PLK4AURKADAPK3CDK1
SCHEMBL29671106 0.70 CCR1 (0.36) CYP3A4PLK4AURKADAPK3CDK1

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed