SCHEMBL17208648

SCHEMBL17208648

COc1cc(NCc2cnc3[nH]ccc3c2Cl)cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.59
▸ BRAF P15056 4/20 0.59
▸ DDR1 Q08345 1/20 0.58
▸ MAP3K20 Q9NYL2 5/20 0.57
▸ MAP3K7 O43318 5/20 0.57
▸ MAP4K2 Q12851 5/20 0.57
▸ MAPK14 Q16539 5/20 0.57
▸ CSK P41240 3/20 0.57
▸ EPHA2 P29317 2/20 0.57
▸ RET P07949 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ RAF1 P04049 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ ABL2 P42684 1/20 0.55
▸ EPHB4 P54760 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 2/20 0.53

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
SCHEMBL17208621 0.93 DDR1 (0.68) EGFRBRAFDDR1MAP3K20MAP3K7
SCHEMBL17208617 0.91 EGFR (0.60) EGFRBRAFMAP3K20MAP3K7MAP4K2
SCHEMBL17208647 0.86 BRAF (0.71) EGFRBRAFDDR1MAP3K20MAP3K7
SCHEMBL2283239 0.84 DDR1 (0.74) EGFRBRAFDDR1MAP3K20MAP3K7
SCHEMBL17208650 0.81 MAPT (0.56) MAPTKDM4E
SCHEMBL17208616 0.81 DDR1 (0.85) EGFRBRAFDDR1MAP3K20MAP3K7
SCHEMBL17208640 0.80 ABL1 (0.56) EGFRBRAFABL1MAPTKMT2A
SCHEMBL17208695 0.80 RAD52 (0.62) EGFRBRAFABL1MAPTKMT2A
SCHEMBL17208651 0.80 MAPK14 (0.69) EGFRBRAFDDR1MAP3K20MAP3K7
SCHEMBL14702344 0.79 DDR1 (0.83) EGFRBRAFDDR1MAP3K20MAP3K7

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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