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SCHEMBL545618

SCHEMBL545618

CN(Cc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC3)ccn1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.74
▸ RAF1 P04049 14/20 0.74
▸ KDR P35968 6/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ DDR2 Q16832 1/20 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
SCHEMBL546715 0.89 BRAF (0.76) BRAFRAF1KDRKCNH2
SCHEMBL546254 0.89 BRAF (0.76) BRAFRAF1KDRKCNH2
SCHEMBL545788 0.89 BRAF (0.76) BRAFRAF1KDRKCNH2
SCHEMBL5426952 0.88 BRAF (0.77) BRAFRAF1KDRKCNH2
SCHEMBL545401 0.87 BRAF (0.80) BRAFRAF1KDRKCNH2
SCHEMBL546678 0.86 BRAF (0.75) BRAFRAF1KDRKCNH2
SCHEMBL547757 0.86 BRAF (0.84) BRAFRAF1KDRKCNH2
SCHEMBL5432719 0.85 BRAF (0.91) BRAFRAF1KDR
SCHEMBL545063 0.85 BRAF (0.91) BRAFRAF1KDR
SCHEMBL545508 0.85 BRAF (0.91) BRAFRAF1KDR

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