SCHEMBL7448563

SCHEMBL7448563

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1cc(C)nc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.44
AGTR2 P50052 14/20 0.44
MAPK8 P45983 1/20 0.44
CXCR4 P61073 3/20 0.38
CMKLR1 Q99788 3/20 0.38
CRHR1 P34998 2/20 0.37

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
SCHEMBL7443465 0.91 AGTR1 (0.41) AGTR1AGTR2MAPK8
SCHEMBL8837014 0.88 CRHR1 (0.38) AGTR1AGTR2CRHR1
SCHEMBL7437565 0.88 MAPT (0.38) AGTR1AGTR2MAPK8CXCR4CMKLR1
SCHEMBL7439284 0.87 AGTR1 (0.37) AGTR1AGTR2MAPK8
SCHEMBL7431258 0.87 AGTR1 (0.42) AGTR1AGTR2MAPK8CXCR4CMKLR1
SCHEMBL7442522 0.87 AGTR1 (0.37) AGTR1AGTR2MAPK8
SCHEMBL7440067 0.86 AGTR1 (0.37) AGTR1AGTR2MAPK8CMKLR1
SCHEMBL7442873 0.85 CMKLR1 (0.38) AGTR1AGTR2MAPK8CMKLR1
SCHEMBL7434203 0.83 AGTR1 (0.36) AGTR1AGTR2MAPK8CXCR4CMKLR1
SCHEMBL7444462 0.81 AGTR1 (0.34) AGTR1AGTR2MAPK8CXCR4CMKLR1

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