SCHEMBL4587186

SCHEMBL4587186

COc1ccc(-c2ccn[c]c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
PTGS2 P35354 2/20 0.41
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN4A P35499 1/20 0.39
RPS6KA3 P51812 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38

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
SCHEMBL8306742 0.71 APP (0.42) PTGS2KMT2AABL1ABCB1BCR
SCHEMBL1646823 0.71 ABL1 (0.50) CLK4PTGS2ABL1ABCB1BCR
SCHEMBL14484701 0.70 MAPT (0.46) GCGRMAPK14CLK4PTGS2KMT2A
SCHEMBL1965517 0.70
SCHEMBL28083154 0.68 CLK4 (0.53) CLK4PTGS2KMT2AABL1ABCB1
SCHEMBL22261802 0.68 CLK4 (0.48) CLK4KMT2AMAPTSCN4ACA12
SCHEMBL5066564 0.68 CLK4 (0.48) CLK4MAPTNPSR1SCN4ACA12
SCHEMBL30416680 0.67 CYP11B1 (0.53) GCGRMAPK14PTGS2KMT2AMAPT
SCHEMBL249089 0.66 DYRK1A (0.49) CLK4MAPTSCN4ACA12CA1
SCHEMBL9151672 0.65 CA1 (0.79) CLK4ABL1ABCB1BCRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed