SCHEMBL4704498

SCHEMBL4704498

CSc1cccc(-n2cnc3c(=O)nc(-c4ccc(Br)cc4)n(-c4ccc(Cl)cc4)c32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 2/20 0.33
DHFR P00374 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GRM1 Q13255 2/20 0.33
XDH P47989 1/20 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
SCHEMBL4701677 0.86 DHFR (0.39) MCHR1MAPTPTGS2DHFRRXFP1
SCHEMBL5611764 0.85 DHFR (0.43) MCHR1MAPTALDH1A1PTGS2DHFR
SCHEMBL4172941 0.85 MCHR1 (0.42) MCHR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4700676 0.84 MCHR1 (0.37) MCHR1MAPTPTGS2DHFRRXFP1
SCHEMBL4704274 0.83 KDM4E (0.41) MCHR1MAPTALDH1A1
SCHEMBL5612513 0.78 GRM1 (0.46) MCHR1MAPTALDH1A1PTGS2GRM1
SCHEMBL1688990 0.76 GRM1 (0.47) MCHR1MAPTALDH1A1PTGS2DHFR
SCHEMBL5611544 0.74 GRM1 (0.40) MCHR1ALDH1A1PTGS2GRM1XDH
SCHEMBL1689154 0.74 MCHR1 (0.39) MCHR1MAPTALDH1A1GRM1XDH
SCHEMBL4699918 0.73 MAPT (0.41) MAPTALDH1A1PTGS2RXFP1GRM1

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
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO disclosed