SCHEMBL5236281

SCHEMBL5236281

COc1ccc(-c2c(C)[nH]n3c(=O)nc(C)nc23)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.43
CRHR1 P34998 1/20 0.43
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13480613 0.69 TACR2 (0.63) TACR2CRHR1
SCHEMBL14591633 0.66 PDE2A (0.52) TACR2CRHR1
SCHEMBL5233264 0.65 TACR2 (0.50) TACR2CRHR1
SCHEMBL20628685 0.65 TACR2 (0.50) TACR2CRHR1
SCHEMBL3179740 0.61 PDE2A (0.44) TACR2CRHR1
SCHEMBL17164736 0.59 NNMT (0.40) TACR2CRHR1
SCHEMBL7278594 0.58 DYRK1A (0.54)
SCHEMBL18836510 0.58 RPS6KA2 (0.48)
SCHEMBL18774086 0.57 NNMT (0.48)
SCHEMBL2256332 0.57 TACR2 (0.45) TACR2CRHR1

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
EP-1368094-B1 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO- 1,5-A|-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-02-28 EP disclosed