SCHEMBL4592951

SCHEMBL4592951

COc1cc(Nc2ncc(C#N)s2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.50

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
SCHEMBL5889210 0.87 KDR (0.50) KDR
SCHEMBL7003815 0.84 KDR (0.55) KDR
SCHEMBL4594178 0.82 KDR (0.52) KDR
SCHEMBL5889270 0.82 KDR (0.67) KDR
SCHEMBL4586129 0.80 KDR (0.41) KDR
SCHEMBL4586348 0.80 KDR (0.47) KDR
SCHEMBL4587497 0.80 KDR (0.43) KDR
SCHEMBL4585514 0.79 KDR (0.46) KDR
SCHEMBL4593275 0.79 KIT (0.55) KDR
SCHEMBL4593852 0.79 KDR (0.43) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed