SCHEMBL4587627

SCHEMBL4587627

CC(C)(C)C1CC(Oc2cc(Nc3ncc(C#N)s3)ncn2)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 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
SCHEMBL4593293 0.90 KDR (0.41) KDR
SCHEMBL4592899 0.89 KDR (0.47) KDR
SCHEMBL4587631 0.81 GPR119 (0.54) KDR
SCHEMBL4593593 0.77 KDR (0.42) KDR
SCHEMBL4594091 0.77 KDR (0.43) KDR
SCHEMBL4593696 0.76 GPR119 (0.34)
SCHEMBL4586120 0.74 KDR (0.60) KDR
SCHEMBL4593789 0.74 KDR (0.43) KDR
SCHEMBL4592898 0.72 KDR (0.51) KDR
SCHEMBL5889270 0.70 KDR (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

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