SCHEMBL2278939

SCHEMBL2278939

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N(C)c4cnc5[nH]ccc5c4SC(C)C)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N(C)c4cnc5[nH]ccc5c4SC(C)C)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.61
▸ MAP3K7 O43318 8/20 0.61
▸ MAP4K2 Q12851 8/20 0.61
▸ MAP3K20 Q9NYL2 7/20 0.61
▸ CSK P41240 4/20 0.61
▸ EPHA2 P29317 3/20 0.61
▸ DDR1 Q08345 1/20 0.61
▸ ABL1 P00519 3/20 0.61
▸ MAP4K4 O95819 2/20 0.61
▸ RAF1 P04049 2/20 0.61
▸ LYN P07948 2/20 0.61
▸ SRC P12931 2/20 0.61
▸ EPHB2 P29323 2/20 0.61
▸ ABL2 P42684 2/20 0.61
▸ EPHB4 P54760 2/20 0.61
▸ FES P07332 1/20 0.60
▸ FER P16591 1/20 0.60
▸ FLT3 P36888 1/20 0.60
▸ KMT2A Q03164 1/20 0.54
▸ ATM Q13315 1/20 0.54

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
SCHEMBL2282784 1.00 MAPK14 (0.61) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2284124 0.88 MAPK14 (0.75) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2282782 0.86 DDR1 (0.78) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2283236 0.85 BRAF (0.64) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL17208708 0.83 MAPK14 (0.65) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2280492 0.82 DDR1 (0.46) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL17208710 0.81 MAP3K20 (0.64) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2280189 0.80 HCK (0.60) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL17208712 0.80 BRAF (0.67) MAPK14MAP3K7MAP4K2MAP3K20CSK
SCHEMBL2289046 0.79 BRAF (0.72) ABL1FLT3EGFRBRAF

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
WO-2011090738-A2 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-07-28 — — WO disclosed
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