SCHEMBL546730

SCHEMBL546730

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.65
RAF1 P04049 11/20 0.65
EGFR P00533 2/20 0.52
LCK P06239 2/20 0.52
RET P07949 2/20 0.52
EPHA2 P29317 2/20 0.52
KDR P35968 2/20 0.52
MAPK14 Q16539 2/20 0.52
DDR2 Q16832 2/20 0.52
KCNH2 Q12809 5/20 0.52
ABL1 P00519 1/20 0.49

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
SCHEMBL545793 0.93 BRAF (0.58) BRAFRAF1EGFRLCKRET
SCHEMBL545511 0.92 BRAF (0.74) BRAFRAF1EGFRLCKRET
SCHEMBL546272 0.87 BRAF (0.73) BRAFRAF1EGFRLCKRET
SCHEMBL545392 0.86 BRAF (0.65) BRAFRAF1EGFRLCKRET
SCHEMBL545678 0.86 BRAF (0.58) BRAFRAF1EGFRLCKRET
SCHEMBL545366 0.85 BRAF (0.67) BRAFRAF1EGFRLCKRET
SCHEMBL545974 0.81 BRAF (0.76) BRAFRAF1KDR
SCHEMBL546015 0.81 BRAF (0.64) BRAFRAF1EGFRLCKRET
SCHEMBL545758 0.81 BRAF (0.64) BRAFRAF1EGFRLCKRET
SCHEMBL546043 0.81 BRAF (0.63) BRAFRAF1EGFRLCKRET

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