SCHEMBL2637232

SCHEMBL2637232

OC(c1c(Cl)c(F)cc(Br)c1Cl)c1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.45
▸ CDC7 O00311 8/20 0.38
▸ CLK4 Q9HAZ1 6/20 0.38
▸ MAP4K4 O95819 6/20 0.38
▸ PIM1 P11309 6/20 0.38
▸ PRKACA P17612 6/20 0.38
▸ GSK3B P49841 6/20 0.38
▸ HIPK2 Q9H2X6 5/20 0.38
▸ ROCK2 O75116 5/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ DYRK1A Q13627 7/20 0.37
▸ CDK8 P49336 4/20 0.37
▸ STK17A Q9UEE5 4/20 0.37
▸ DAPK3 O43293 4/20 0.37
▸ CLK2 P49760 4/20 0.37
▸ CDK7 P50613 4/20 0.37
▸ CDK9 P50750 4/20 0.37
▸ PRKX P51817 4/20 0.37
▸ CDK5 Q00535 4/20 0.37

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
SCHEMBL2637371 0.82 AXL (0.48) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL17435055 0.80 AXL (0.37) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL858184 0.75 AXL (0.48) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL3701118 0.73 GRM8 (0.40) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL413222 0.72 MET (0.40) PIM1PRKACAGSK3BHIPK2ROCK2
SCHEMBL857047 0.71 MAPT (0.46) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL858300 0.71 AXL (0.44) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL19471801 0.71 CCNB2 (0.40) AXLCDC7CLK4MAP4K4PIM1
SCHEMBL1359136 0.70 MET (0.43) CLK4MAP4K4HIPK2ROCK2CDK2
SCHEMBL3701115 0.70 CAMKK2 (0.43) AXLGRM8GRM4LRRK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2710003-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2014-03-26 — — EP disclosed
EP-2569314-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-03-20 — — EP disclosed
WO-2012158658-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-11-22 — — WO disclosed
WO-2011143645-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2011-11-17 — — WO disclosed
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