SCHEMBL15080692

SCHEMBL15080692

CN1CC(C)(C)c2ccc(NC(=O)c3ccc(F)c(Nc4ncccc4-c4ccncn4)c3)cc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.55
TEK Q02763 10/20 0.55
BRAF P15056 8/20 0.54
LCK P06239 1/20 0.54
MAPK14 Q16539 1/20 0.54

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
SCHEMBL1264135 0.91 KDR (0.54) KDRTEKBRAFLCKMAPK14
SCHEMBL1266635 0.85 KDR (0.57) KDRTEKBRAFLCKMAPK14
SCHEMBL1263829 0.84 KDR (0.55) KDRTEKBRAFLCKMAPK14
SCHEMBL1263934 0.78 KDR (0.64) KDRTEKBRAFLCKMAPK14
SCHEMBL1264109 0.77 KDR (0.83) KDRTEKBRAFLCKMAPK14
SCHEMBL1264214 0.76 TEK (0.75) KDRTEKBRAFLCKMAPK14
SCHEMBL1264043 0.76 TEK (0.73) KDRTEKBRAFLCKMAPK14
SCHEMBL1263726 0.75 TEK (0.79) KDRTEKBRAFLCKMAPK14
SCHEMBL1264844 0.75 TEK (0.60) KDRTEKBRAFLCKMAPK14
SCHEMBL1264952 0.74 TEK (0.84) KDRTEKBRAFLCKMAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed