SCHEMBL29693532

SCHEMBL29693532

COc1cc2ncnc(Oc3ccc(NC(=O)C4(C(=O)O)CC4)cc3F)c2cc1OCCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.73
KDR P35968 7/20 0.73
FLT3 P36888 4/20 0.73
BRAF P15056 3/20 0.73
RAF1 P04049 2/20 0.73
PLK4 O00444 1/20 0.73
STK25 O00506 1/20 0.73
CIT O14578 1/20 0.73
AURKA O14965 1/20 0.73
CHUK O15111 1/20 0.73
MUSK O15146 1/20 0.73
EPHB6 O15197 1/20 0.73
MAPK13 O15264 1/20 0.73
MAP3K13 O43283 1/20 0.73
DAPK3 O43293 1/20 0.73
MAP3K7 O43318 1/20 0.73
RIPK2 O43353 1/20 0.73
JAK2 O60674 1/20 0.73
ROCK2 O75116 1/20 0.73
PAK3 O75914 1/20 0.73

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 0.94 MET (0.82) METKDRFLT3BRAFRAF1
SCHEMBL371662 0.94 MET (0.82) METKDRFLT3BRAFRAF1
SCHEMBL371849 0.94 MET (0.82) METKDRFLT3BRAFRAF1
SCHEMBL24444601 0.94 MET (0.75) METKDRFLT3BRAFRAF1
SCHEMBL20216804 0.92 MET (0.68) METKDRFLT3BRAFRAF1
SCHEMBL371568 0.92 MET (0.78) METKDRFLT3BRAFRAF1
SCHEMBL16069963 0.90 MET (0.89) METKDRFLT3BRAFRAF1
SCHEMBL24444603 0.89 MET (0.72) METKDRFLT3BRAFRAF1
SCHEMBL24444628 0.88 MET (0.66) METKDRFLT3BRAFRAF1
SCHEMBL371956 0.88 MET (0.71) METKDRFLT3BRAFRAF1

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-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed