SCHEMBL4097679

SCHEMBL4097679

CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3cc(CN)cc(C(C)(C)C)c3)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
SRC P12931 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
RAF1 P04049 1/20 0.43
LOX P28300 4/20 0.43
LOXL2 Q9Y4K0 4/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
MAPT P10636 1/20 0.42
NR3C2 P08235 1/20 0.41
MAPK14 Q16539 5/20 0.41

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
SCHEMBL4115551 0.89 BRAF (0.50) BRAFLCKFYNPDGFRBKIT
SCHEMBL5115943 0.85 BRAF (0.44) BRAFLCKFYNPDGFRBKIT
SCHEMBL3984127 0.83 GPR52 (0.52) BRAFKDRNR3C2MAPK14
SCHEMBL4293095 0.82 GRM5 (0.49) BRAFCA1CA2CA7CA9
SCHEMBL5119964 0.81 NPC1 (0.55) BRAFLOXLOXL2MAPTNR3C2
SCHEMBL3991944 0.80 GRM5 (0.58) NPC1RAB9A
SCHEMBL3986152 0.80 GRM5 (0.56) BRAFLOXLOXL2CA1CA2
SCHEMBL4111366 0.79 BRAF (0.56) BRAFKDRRAF1MAPK14
SCHEMBL3986272 0.77 NR3C2 (0.45) BRAFKDRRAF1CA1CA2
SCHEMBL3994618 0.77 RAF1 (0.54) BRAFKDRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO disclosed