SCHEMBL7440163

SCHEMBL7440163

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2cnc(C#N)c2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.39
AGTR2 P50052 12/20 0.39
EED O75530 1/20 0.34
BCAT2 O15382 1/20 0.34

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
SCHEMBL7429064 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL7449139 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7448452 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7427188 0.82 CDK2 (0.49) AGTR1AGTR2
SCHEMBL7440149 0.81 IKBKB (0.31)
SCHEMBL7442436 0.80 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7440772 0.80 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7429897 0.80 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7436217 0.79 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7442480 0.78 CDK2 (0.47) AGTR1AGTR2

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-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-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