SCHEMBL27845008

SCHEMBL27845008

Cc1nc(Nc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCN(CC#N)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ KDR P35968 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC6 Q9UBN7 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
SCHEMBL27844947 0.89 BRAF (0.53) BRAFMAPK14KDRLMNAMAPT
SCHEMBL27844997 0.88 BRAF (0.57) BRAFMAPK14KDRTRPV1
SCHEMBL27862284 0.88 BRAF (0.53) BRAFMAPK14LMNAMAPTTRPV1
SCHEMBL27844954 0.87 BRAF (0.54) BRAFMAPK14KDRLMNAMAPT
SCHEMBL27862197 0.86 BRAF (0.55) BRAFMAPK14KDRTRPV1
SCHEMBL27862531 0.86 BRAF (0.52) BRAFMAPK14KDRTRPV1
SCHEMBL14146747 0.86 BRAF (0.62) BRAFMAPK14KDRMAPT
SCHEMBL27844969 0.85 BRAF (0.45) BRAFMAPK14KDRLMNAMAPT
SCHEMBL27862199 0.85 BRAF (0.51) BRAFMAPK14LMNAMAPTTRPV1
SCHEMBL14147199 0.85 BRAF (0.55) BRAFMAPK14KDRMAPTTRPV1

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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