SCHEMBL7435233

SCHEMBL7435233

CCc1cc(NCc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2cnc(C)c2n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
AGTR1 P30556 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
SCHEMBL7437917 0.84 AGTR1 (0.32) GSK3BAGTR1
SCHEMBL7435614 0.83 GSK3B (0.42) GSK3BAGTR1
SCHEMBL7440140 0.82 PRKAB2 (0.48) GSK3BAGTR1
SCHEMBL7449139 0.82 AGTR1 (0.41) AGTR1
SCHEMBL7442985 0.81 GSK3B (0.54) GSK3B
SCHEMBL7435241 0.81
SCHEMBL7439041 0.79 CDK2 (0.43) GSK3BAGTR1
SCHEMBL7438645 0.78 GSK3B (0.39) GSK3BAGTR1
SCHEMBL7449376 0.77 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL7440210 0.77 AGTR1 (0.32) AGTR1

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