SCHEMBL17208613

SCHEMBL17208613

CCN1CCN(Cc2ccc(NC(=O)c3cccc(NCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K20 Q9NYL2 6/20 0.81
▸ DDR1 Q08345 1/20 0.79
▸ MAPK14 Q16539 9/20 0.77
▸ MAP3K7 O43318 7/20 0.76
▸ MAP4K2 Q12851 7/20 0.76
▸ CSK P41240 5/20 0.76
▸ EPHA2 P29317 4/20 0.76
▸ MAP4K4 O95819 2/20 0.71
▸ ABL1 P00519 2/20 0.71
▸ RAF1 P04049 2/20 0.71
▸ LYN P07948 2/20 0.71
▸ SRC P12931 2/20 0.71
▸ EPHB2 P29323 2/20 0.71
▸ ABL2 P42684 2/20 0.71
▸ EPHB4 P54760 2/20 0.71
▸ EGFR P00533 2/20 0.63
▸ BRAF P15056 2/20 0.63
▸ FES P07332 1/20 0.60
▸ FER P16591 1/20 0.60
▸ FLT3 P36888 1/20 0.60

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
SCHEMBL17208615 0.95 DDR1 (0.82) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL17515255 0.90 DDR1 (0.95) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL2284120 0.89 DDR1 (1.00) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL17208710 0.87 MAP3K20 (0.64) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL19986848 0.86 MAPK14 (1.00) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL17208621 0.85 DDR1 (0.68) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL17208651 0.85 MAPK14 (0.69) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL17208616 0.84 DDR1 (0.85) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL2284518 0.83 MAPK14 (1.00) MAP3K20DDR1MAPK14MAP3K7MAP4K2
SCHEMBL2284510 0.83 MAPK14 (1.00) MAP3K20DDR1MAPK14MAP3K7MAP4K2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180127-B2 Type II Raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-11-10 — — US disclosed
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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