SCHEMBL28796317

SCHEMBL28796317

Cc1nc(Nc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCN(C)C(=O)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ KDR P35968 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ CA9 Q16790 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42

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
SCHEMBL27844997 0.89 BRAF (0.57) BRAFMAPK14KDRCA9TRPV1
SCHEMBL27862197 0.86 BRAF (0.55) BRAFMAPK14KDRTRPV1
SCHEMBL27844947 0.86 BRAF (0.53) BRAFMAPK14KDRGAATRPV1
SCHEMBL14146747 0.85 BRAF (0.62) BRAFMAPK14KDRCA9
SCHEMBL14147199 0.85 BRAF (0.55) BRAFMAPK14KDRCCNCCDK8
SCHEMBL27845059 0.84 BRAF (0.44) BRAFMAPK14KDRGAACA9
SCHEMBL27845008 0.83 BRAF (0.51) BRAFMAPK14KDRGAATRPV1
SCHEMBL27862284 0.83 BRAF (0.53) BRAFMAPK14GAATRPV1
SCHEMBL27862530 0.82 BRAF (0.54) BRAFMAPK14KDRCA9CCNC
SCHEMBL27844954 0.82 BRAF (0.54) BRAFMAPK14KDRGAACA9

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
CN-102250065-A Substituted triazine phenyl urea derivatives and application thereof ZHEJIANG HISUN PHARM CO LTD 2011-11-23 — — CN disclosed
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