SCHEMBL4616997

SCHEMBL4616997

Cc1nc(Nc2ncc(C#N)s2)cc(OC2CCN(CCN3CCOCC3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.54
KIT P10721 3/20 0.53
FLT3 P36888 3/20 0.53
LCK P06239 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL4587497 0.89 KDR (0.43) KDRKITFLT3
SCHEMBL4587539 0.87 KIT (0.68) KDRKITFLT3LCKSRC
SCHEMBL4586176 0.86 KIT (0.62) KDRKITFLT3LCKSRC
SCHEMBL4593901 0.85 KDR (0.44) KDRKITFLT3
SCHEMBL4593596 0.82 KDR (0.41) KDR
SCHEMBL5889110 0.82 KDR (0.74) KDRKITFLT3SRC
SCHEMBL4592543 0.82 KDR (0.60) KDRKITFLT3LCK
SCHEMBL4586348 0.81 KDR (0.47) KDR
SCHEMBL4593903 0.81 KDR (0.44) KDRFLT3
SCHEMBL4593297 0.79 GPR119 (0.52) 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