SCHEMBL5226427

SCHEMBL5226427

CC(C)C(C(=O)Nc1nc2cc(N(C)c3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc2n1C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.54
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
SCHEMBL14263450 0.87 KDR (0.54) KDRAURKA
SCHEMBL4981627 0.87 KDR (0.69) KDRAURKA
SCHEMBL4980432 0.87 KDR (0.58) KDRAURKA
Hydrochloric Acid SCHEMBL5225920 0.86 KDR (0.53) KDRAURKA
SCHEMBL4978362 0.86 KDR (0.68) KDRAURKA
SCHEMBL4983410 0.86 KDR (0.61) KDRAURKA
SCHEMBL5226716 0.84 KDR (0.55) KDRAURKA
SCHEMBL4978763 0.84 KDR (0.54) KDRAURKA
SCHEMBL4976764 0.84 KDR (0.55) KDRAURKA
Trifluoroacetic Acid SCHEMBL4978400 0.83 KDR (0.57) 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