SCHEMBL7445264

SCHEMBL7445264

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(Cl)c2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CRHR1 P34998 1/20 0.31

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
SCHEMBL7445765 0.90 AGTR1 (0.31) AGTR1
SCHEMBL7442467 0.90 TRPA1 (0.30)
SCHEMBL7442646 0.90 GSK3B (0.36) AGTR1AGTR2
SCHEMBL7439328 0.88 RAB9A (0.38) AGTR1AGTR2CRHR1
SCHEMBL7433797 0.88
SCHEMBL7438693 0.88 AGTR1 (0.35) AGTR1AGTR2CRHR1
SCHEMBL7427170 0.87 CSNK2A1 (0.35)
SCHEMBL7434976 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL7440098 0.87 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL7447253 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed