SCHEMBL17208617

SCHEMBL17208617

COc1cc(NC(=O)c2cnc3[nH]ccc3c2Cl)cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.60
▸ BRAF P15056 4/20 0.60
▸ MAPT P10636 6/20 0.59
▸ RAD52 P43351 1/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MAP3K20 Q9NYL2 4/20 0.56
▸ MAP3K7 O43318 4/20 0.56
▸ MAP4K2 Q12851 4/20 0.56
▸ MAPK14 Q16539 4/20 0.56
▸ CSK P41240 3/20 0.56
▸ UBE2N P61088 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ EPHA2 P29317 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ RET P07949 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ RAF1 P04049 1/20 0.55

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
SCHEMBL17208648 0.91 EGFR (0.59) EGFRBRAFMAPTKMT2AMAP3K20
SCHEMBL17208621 0.86 DDR1 (0.68) EGFRBRAFMAPTKMT2AMAP3K20
SCHEMBL17208714 0.85 BRAF (0.76) EGFRBRAFKMT2AATM
SCHEMBL12518524 0.80 BRAF (0.74) EGFRBRAFMAP3K20MAP3K7MAP4K2
SCHEMBL13708190 0.79 MAPT (0.53) EGFRBRAFMAPTRAD52KMT2A
SCHEMBL2285546 0.79 DDR1 (0.71) EGFRBRAFKMT2AMAP3K20MAP3K7
SCHEMBL17208647 0.78 BRAF (0.71) EGFRBRAFMAP3K20MAP3K7MAP4K2
SCHEMBL2283236 0.77 BRAF (0.64) EGFRBRAFMAP3K20MAP3K7MAP4K2
SCHEMBL2283239 0.77 DDR1 (0.74) EGFRBRAFMAP3K20MAP3K7MAP4K2
SCHEMBL17208640 0.76 ABL1 (0.56) EGFRBRAFMAPTRAD52KMT2A

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
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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