SCHEMBL15090477

SCHEMBL15090477

COc1cc2c(Oc3cccc(F)c3[N+](=O)[O-])ccnc2cc1OCC1CC2CN(C(=O)OCc3ccccc3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
EPHA2 P29317 2/20 0.44
EPHB4 P54760 2/20 0.44
MET P08581 15/20 0.43
SRC P12931 1/20 0.40
TGFBR1 P36897 1/20 0.40
AXL P30530 2/20 0.39
FLT3 P36888 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL371871 0.89 MET (0.47) KDREPHA2EPHB4MET
SCHEMBL15090478 0.87 MET (0.40) KDRMETSRCTGFBR1AXL
SCHEMBL13787632 0.85 SRC (0.49) KDREPHA2EPHB4METSRC
SCHEMBL4402150 0.84 MET (0.47) KDREPHA2EPHB4MET
SCHEMBL2927827 0.79 MET (0.46) KDRMET
SCHEMBL5143520 0.77 KDR (0.51) KDREPHA2EPHB4SRCTGFBR1
SCHEMBL10245296 0.77 KDR (0.55) KDREPHA2EPHB4SRCTGFBR1
SCHEMBL371872 0.77 MET (0.44) KDRMET
SCHEMBL372065 0.77 KDR (0.56) KDREPHA2EPHB4SRCTGFBR1
SCHEMBL372077 0.76 KDR (0.49) KDREPHA2EPHB4METERBB2

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
EP-2612853-A1 c-Met modulators and methods of use Exelixis Inc. (US) 2013-07-10 EP disclosed