SCHEMBL7438197

SCHEMBL7438197

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
AGTR1 P30556 10/20 0.36
AXL P30530 7/20 0.34
FLT3 P36888 7/20 0.34
MERTK Q12866 7/20 0.34
TYRO3 Q06418 1/20 0.34
AGTR2 P50052 8/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7444418 0.93 AXL (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7434203 0.90 AGTR1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7437565 0.89 MAPT (0.38) AGTR1AXLFLT3MERTKTYRO3
SCHEMBL7443465 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7444462 0.88 AGTR1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7433754 0.87 DPP4 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7431258 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7442853 0.87 AGTR1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436500 0.86 AGTR1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7432932 0.86 MAPT (0.36) AXLFLT3MERTKTYRO3

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