SCHEMBL4587539

SCHEMBL4587539

Cc1nc(Nc2ncc(C#N)s2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.68
FLT3 P36888 2/20 0.68
KDR P35968 11/20 0.58
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
LCK P06239 2/20 0.41
SRC P12931 3/20 0.40

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
SCHEMBL4586176 0.95 KIT (0.62) KITFLT3KDRLCKSRC
SCHEMBL4593275 0.90 KIT (0.55) KITFLT3KDRSRC
SCHEMBL4616997 0.87 KDR (0.54) KITFLT3KDRLCKSRC
SCHEMBL5889110 0.85 KDR (0.74) KITFLT3KDRSRC
SCHEMBL4592543 0.85 KDR (0.60) KITFLT3KDRLCK
SCHEMBL21028280 0.81 FLT3 (1.00) KITFLT3KDRSRC
Hydrochloric Acid SCHEMBL20580475 0.80 FLT3 (1.00) KITFLT3KDRSRC
SCHEMBL21028279 0.79 KIT (0.84) KITFLT3SRC
Hydrochloric Acid SCHEMBL20580463 0.79 KIT (0.84) KITFLT3SRC
SCHEMBL4587497 0.79 KDR (0.43) KITFLT3KDR

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