SCHEMBL6562420

SCHEMBL6562420

O=C(Nc1cc(-c2ccccc2)nn1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.68
LMNA P02545 1/20 0.55
ADORA1 P30542 1/20 0.54

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
SCHEMBL27474439 0.84 MAPT (0.68) GRM5
SCHEMBL2858001 0.84 GRM5 (0.70) GRM5LMNA
SCHEMBL2482825 0.81 GRM5 (1.00) GRM5LMNA
SCHEMBL2569658 0.81 F2 (0.60) GRM5LMNA
SCHEMBL2551230 0.77 KLK3 (0.52) GRM5
SCHEMBL2562097 0.77 KLKB1 (0.57)
SCHEMBL26673912 0.76 MAPT (0.62) GRM5
SCHEMBL2563531 0.76 F2 (0.59) GRM5LMNAADORA1
SCHEMBL2563383 0.76 F2 (0.72) GRM5LMNA
SCHEMBL2555846 0.76 F2 (0.57) GRM5

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-0788358-B1 USE OF PYRAZOLE COMPOUNDS FOR THE TREATMENT OF GLOMERULONEPHRITIS, CANCER, ATHEROSCLEROSIS OR RESTENOSIS MILLENNIUM PHARM INC (US) 2004-03-31 EP disclosed
US-5916908-A Pharmaceutical pyrazole compositions useful as inhibitors of protein kinases COR THERAPEUTICS, INC. (US) 1999-06-29 US disclosed
EP-0788358-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1997-08-13 EP disclosed
WO-1996014843-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1996-05-23 WO disclosed