SCHEMBL5227736

SCHEMBL5227736

CN(c1ccc2c(c1)nc(NC(=O)Cc1ccccc1F)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.55
AURKA O14965 1/20 0.49

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
SCHEMBL5222967 0.94 KDR (0.54) KDRAURKA
SCHEMBL5308059 0.92 KDR (0.56) KDRAURKA
SCHEMBL5222710 0.92 KDR (0.55) KDRAURKA
SCHEMBL4978362 0.91 KDR (0.68) KDRAURKA
SCHEMBL4976774 0.90 KDR (0.54) KDRAURKA
SCHEMBL5226927 0.90 KDR (0.58) KDRAURKA
SCHEMBL5225841 0.89 KDR (0.59) KDRAURKA
SCHEMBL4983361 0.88 KDR (0.53) KDRAURKA
SCHEMBL5223748 0.88 KDR (0.52) KDRAURKA
SCHEMBL5225503 0.87 KDR (0.58) KDRAURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed