SCHEMBL4592898

SCHEMBL4592898

CC(C)(C)OC(=O)N1CCC(COc2cc(Nc3ncc(C#N)s3)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.51
GPR119 Q8TDV5 3/20 0.44
TBK1 Q9UHD2 3/20 0.44

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
SCHEMBL4587631 0.89 GPR119 (0.54) KDRGPR119TBK1
SCHEMBL4593791 0.84 KDR (0.46) KDRGPR119TBK1
SCHEMBL4594266 0.84 KDR (0.52) KDRGPR119
SCHEMBL7228109 0.81 KDR (0.56) KDRGPR119TBK1
SCHEMBL4593297 0.79 GPR119 (0.52) KDRGPR119TBK1
SCHEMBL4594092 0.77 NSD2 (0.49) KDRGPR119
SCHEMBL1817410 0.75 KDR (0.42) KDRGPR119
SCHEMBL1815909 0.73 KDR (0.51) KDRGPR119TBK1
SCHEMBL4587627 0.72 KDR (0.49) KDR
SCHEMBL4586816 0.72 KDR (0.39) 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