SCHEMBL10242716

SCHEMBL10242716

CCc1cc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)ccc1Oc1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.72
KDR P35968 10/20 0.72
AURKA O14965 4/20 0.72
BRAF P15056 3/20 0.72
EGFR P00533 3/20 0.72
FLT1 P17948 2/20 0.72
FLT4 P35916 2/20 0.72
RAF1 P04049 2/20 0.72
ROCK2 O75116 2/20 0.72
LCK P06239 2/20 0.72
FYN P06241 2/20 0.72
RET P07949 2/20 0.72
SRC P12931 2/20 0.72
PDGFRA P16234 2/20 0.72
LTK P29376 2/20 0.72
TTK P33981 2/20 0.72
MAP2K2 P36507 2/20 0.72
MAP2K1 Q02750 2/20 0.72
BTK Q06187 2/20 0.72
TYRO3 Q06418 2/20 0.72

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
SCHEMBL29693459 0.93 MET (0.82) METKDRAURKABRAFEGFR
SCHEMBL371849 0.93 MET (0.82) METKDRAURKABRAFEGFR
SCHEMBL371662 0.93 MET (0.82) METKDRAURKABRAFEGFR
SCHEMBL371568 0.91 MET (0.78) METKDRAURKABRAFEGFR
SCHEMBL24444623 0.90 MET (0.69) METKDRAURKABRAFEGFR
SCHEMBL24444601 0.88 MET (0.75) METKDRAURKABRAFEGFR
SCHEMBL29693532 0.88 MET (0.73) METKDRAURKABRAFEGFR
SCHEMBL24444603 0.86 MET (0.72) METKDRAURKABRAFEGFR
SCHEMBL371956 0.86 MET (0.71) METKDRAURKABRAFEGFR
SCHEMBL371839 0.85 MET (0.70) METKDRAURKABRAFEGFR

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-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed