SCHEMBL7442873

SCHEMBL7442873

COC(=O)CN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1cc(C)nc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 3/20 0.38
AGTR1 P30556 11/20 0.36
AGTR2 P50052 11/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL7440067 0.93 AGTR1 (0.37) CMKLR1AGTR1AGTR2MAPK8
SCHEMBL7439284 0.91 AGTR1 (0.37) AGTR1AGTR2MAPK8
SCHEMBL7438184 0.91 CMKLR1 (0.37) CMKLR1AGTR1AGTR2
SCHEMBL7442522 0.91 AGTR1 (0.37) AGTR1AGTR2MAPK8
SCHEMBL7432327 0.85 AGTR1 (0.36) CMKLR1AGTR1AGTR2
SCHEMBL7448563 0.85 AGTR1 (0.44) CMKLR1AGTR1AGTR2MAPK8
SCHEMBL7437565 0.83 MAPT (0.38) CMKLR1AGTR1AGTR2MAPK8
SCHEMBL7438420 0.82 CMKLR1 (0.38) CMKLR1AGTR1AGTR2
SCHEMBL7436745 0.82 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7433092 0.81 AGTR1 (0.34) 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-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