SCHEMBL7433727

SCHEMBL7433727

CCCc1cc(N(C)c2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2nccc2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
AGTR1 P30556 1/20 0.33
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CDK13 Q14004 1/20 0.30
CDK12 Q9NYV4 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
SCHEMBL7438353 0.96 AGTR1 (0.37) DPP4AGTR1CDK7CDK9
SCHEMBL7445226 0.94 DPP4 (0.35) DPP4AGTR1
SCHEMBL7443560 0.88 DPP4 (0.36) DPP4
SCHEMBL7487675 0.87 DPP4 (0.36) DPP4
SCHEMBL7437185 0.83 DPP4 (0.39) DPP4CDK2CDK7CDK9CDK13
SCHEMBL7447153 0.83 AGTR1 (0.37) AGTR1
SCHEMBL7439812 0.83 GSK3B (0.32) AGTR1
SCHEMBL7438628 0.82 AGTR1 (0.32) AGTR1
SCHEMBL7436076 0.82 AGTR1 (0.31) AGTR1
SCHEMBL7433723 0.82 AGTR1 (0.46) AGTR1CDK2CDK7CDK9CDK13

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