SCHEMBL27844947

SCHEMBL27844947

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ TRPV1 Q8NER1 4/20 0.47
▸ KDR P35968 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 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 0.91 BRAF (0.57) BRAFMAPK14TRPV1KDR
SCHEMBL27862284 0.89 BRAF (0.53) BRAFMAPK14TRPV1LMNAMAPT
SCHEMBL27845008 0.89 BRAF (0.51) BRAFMAPK14TRPV1KDRLMNA
SCHEMBL27844954 0.88 BRAF (0.54) BRAFMAPK14KDREGFRLMNA
SCHEMBL27862197 0.88 BRAF (0.55) BRAFMAPK14TRPV1KDR
SCHEMBL27862531 0.88 BRAF (0.52) BRAFMAPK14TRPV1KDR
SCHEMBL14146747 0.87 BRAF (0.62) BRAFMAPK14KDRMAPT
SCHEMBL27862199 0.86 BRAF (0.51) BRAFMAPK14TRPV1LMNAMAPT
SCHEMBL14147199 0.86 BRAF (0.55) BRAFMAPK14TRPV1KDRMAPT
SCHEMBL27845105 0.86 BRAF (0.52) BRAFMAPK14TRPV1LMNAMAPT

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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