SCHEMBL7437669

SCHEMBL7437669

CCc1cc(N(C)c2ccc(-c3ccccc3C#N)cc2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
MERTK Q12866 1/20 0.39
PPARG P37231 2/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL7435695 0.91 DPP4 (0.39) DPP4AXLFLT3MERTKPPARG
SCHEMBL7441427 0.87 DPP4 (0.43) DPP4AXLFLT3MERTKPPARG
SCHEMBL7438169 0.86 AXL (0.47) AXLFLT3MERTKPPARGPRKAG1
SCHEMBL7445599 0.86 DPP4 (0.42) DPP4AXLFLT3MERTKPPARG
SCHEMBL7449210 0.84 ABCB1 (0.39) PPARGGABRA1GABRG2GABRB3GABRA2
SCHEMBL7447121 0.83 TSHR (0.41) PPARGGABRA1GABRG2GABRB3GABRA2
SCHEMBL7437266 0.82 GABRA1 (0.38) PPARGGABRA1GABRG2GABRB3GABRA2
SCHEMBL7441155 0.82 CNR1 (0.38) PPARGGABRA1GABRG2GABRB3GABRA2
SCHEMBL7429391 0.81 DPP4 (0.35) DPP4PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL7447420 0.81 AXL (0.42) DPP4AXLFLT3MERTKPPARG

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