SCHEMBL7442853

SCHEMBL7442853

CCc1cc(N(CC#N)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
AGTR2 P50052 7/20 0.33
MAPK8 P45983 1/20 0.32
CMKLR1 Q99788 4/20 0.30
CXCR4 P61073 3/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL7434203 0.91 AGTR1 (0.36) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7443465 0.89 AGTR1 (0.41) AGTR1AGTR2MAPK8
SCHEMBL7444462 0.89 AGTR1 (0.34) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7431258 0.88 AGTR1 (0.42) AGTR1AGTR2MAPK8CMKLR1CXCR4
SCHEMBL7438197 0.87 PRKAB2 (0.36) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7436745 0.86 AGTR1 (0.36) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7433092 0.86 AGTR1 (0.34) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7438420 0.85 CMKLR1 (0.38) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7436500 0.85 AGTR1 (0.34) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7438184 0.84 CMKLR1 (0.37) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1

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