SCHEMBL5889031

SCHEMBL5889031

COc1c(Nc2ncc(C#N)s2)ncnc1N1CCN(C2CS(=O)(=O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.44
KIT P10721 1/20 0.32

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
SCHEMBL5889026 0.91 KDR (0.44) KDRKIT
SCHEMBL5889228 0.86 KDR (0.44) KDR
SCHEMBL5888998 0.78 KDR (0.70) KDRKIT
SCHEMBL5889223 0.77 KDR (0.44) KDRKIT
SCHEMBL5889188 0.76 KDR (0.47) KDR
SCHEMBL5889102 0.71 KDR (0.66) KDRKIT
SCHEMBL5889007 0.68 KDR (0.70) KDRKIT
SCHEMBL5889115 0.66 KDR (0.65) KDR
SCHEMBL5889027 0.64 KDR (0.47) KDR
SCHEMBL5889233 0.64 KDR (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed