SCHEMBL545793

SCHEMBL545793

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc(C(C)(C)C)c2)CC3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.58
RAF1 P04049 7/20 0.58
LCK P06239 3/20 0.48
KDR P35968 3/20 0.48
FYN P06241 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
SRC P12931 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
MAPK14 Q16539 3/20 0.48
EGFR P00533 2/20 0.48
RET P07949 2/20 0.48
EPHA2 P29317 2/20 0.48
DDR2 Q16832 2/20 0.48
KCNH2 Q12809 5/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL545366 0.93 BRAF (0.67) BRAFRAF1LCKKDRMAPK14
SCHEMBL546730 0.93 BRAF (0.65) BRAFRAF1LCKKDRMAPK14
SCHEMBL545758 0.87 BRAF (0.64) BRAFRAF1LCKKDRMAPK14
SCHEMBL546015 0.87 BRAF (0.64) BRAFRAF1LCKKDRMAPK14
SCHEMBL546043 0.86 BRAF (0.63) BRAFRAF1LCKKDRMAPK14
SCHEMBL546358 0.86 BRAF (0.56) BRAFRAF1LCKKDRFYN
SCHEMBL546265 0.85 BRAF (0.68) BRAFRAF1LCKKDRMAPK14
SCHEMBL545511 0.85 BRAF (0.74) BRAFRAF1LCKKDRMAPK14
SCHEMBL545770 0.83 BRAF (0.60) BRAFRAF1LCKKDRMAPK14
SCHEMBL5417941 0.82 BRAF (0.61) BRAFRAF1LCKKDRMAPK14

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed