SCHEMBL17208616

SCHEMBL17208616

COc1c(CNc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.85
▸ MAPK14 Q16539 5/20 0.73
▸ MAP3K20 Q9NYL2 5/20 0.73
▸ CSK P41240 4/20 0.73
▸ MAP3K7 O43318 3/20 0.73
▸ MAP4K2 Q12851 3/20 0.73
▸ EPHA2 P29317 2/20 0.73
▸ BRAF P15056 11/20 0.69
▸ EGFR P00533 9/20 0.69
▸ ABL1 P00519 2/20 0.68
▸ MAP4K4 O95819 1/20 0.68
▸ RAF1 P04049 1/20 0.68
▸ LYN P07948 1/20 0.68
▸ SRC P12931 1/20 0.68
▸ EPHB2 P29323 1/20 0.68
▸ ABL2 P42684 1/20 0.68
▸ EPHB4 P54760 1/20 0.68

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
SCHEMBL17515255 0.95 DDR1 (0.95) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL2284120 0.92 DDR1 (1.00) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL12518257 0.91 DDR1 (0.88) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL17208647 0.91 BRAF (0.71) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL12518524 0.90 BRAF (0.74) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL2283239 0.88 DDR1 (0.74) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL17208621 0.88 DDR1 (0.68) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL17208712 0.88 BRAF (0.67) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL26882862 0.85 DDR1 (0.78) DDR1MAPK14MAP3K20CSKMAP3K7
SCHEMBL14704592 0.85 MAPK14 (0.78) DDR1MAPK14MAP3K20CSKMAP3K7

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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