SCHEMBL27844949

SCHEMBL27844949

Cc1nc(Nc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCN(Cc3ccc4ncccc4c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ ABL1 P00519 10/20 0.51
▸ SRC P12931 4/20 0.51
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ BCR P11274 6/20 0.43
▸ LYN P07948 2/20 0.43
▸ KIT P10721 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DDX3X O00571 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ SLC22A3 O75751 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL27862284 0.89 BRAF (0.53) BRAFMAPK14LMNAALDH1A1GAA
SCHEMBL27844954 0.88 BRAF (0.54) BRAFMAPK14ABL1SRCLMNA
SCHEMBL27844944 0.87 ABL1 (0.50) BRAFMAPK14ABL1SRCLMNA
SCHEMBL27862199 0.83 BRAF (0.51) BRAFMAPK14ABL1LMNAALDH1A1
SCHEMBL27844947 0.83 BRAF (0.53) BRAFMAPK14ABL1LMNAALDH1A1
SCHEMBL27845105 0.83 BRAF (0.52) BRAFMAPK14ABL1LMNAALDH1A1
SCHEMBL27844997 0.82 BRAF (0.57) BRAFMAPK14KDRCA9
SCHEMBL27845008 0.82 BRAF (0.51) BRAFMAPK14LMNAALDH1A1GAA
SCHEMBL27862197 0.81 BRAF (0.55) BRAFMAPK14KDR
SCHEMBL27862531 0.80 BRAF (0.52) BRAFMAPK14KDR

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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