SCHEMBL4594178

SCHEMBL4594178

Cc1nc(Cl)cc(Nc2ncc(C#N)s2)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.52
CHRNA7 P36544 1/20 0.39

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
SCHEMBL2335605 0.86 KDR (0.55) KDR
SCHEMBL7003815 0.86 KDR (0.55) KDR
SCHEMBL1532309 0.83 KDR (0.49) KDR
SCHEMBL4592951 0.82 KDR (0.50) KDR
SCHEMBL1532243 0.81 KDR (0.47) KDR
SCHEMBL343595 0.81 KDR (0.52) KDR
SCHEMBL2065730 0.81 MYC (0.39) CHRNA7
SCHEMBL5742758 0.80 KDR (0.51) KDR
SCHEMBL4593039 0.79 KDR (0.72) KDR
SCHEMBL5742162 0.78 KDR (0.49) 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