SCHEMBL17208712

SCHEMBL17208712

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NCc1cnc2[nH]ccc2c1SC(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.67
▸ EGFR P00533 12/20 0.67
▸ DDR1 Q08345 1/20 0.66
▸ ABL1 P00519 2/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ EPHA2 P29317 1/20 0.58
▸ CSK P41240 1/20 0.58
▸ MAP4K2 Q12851 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ MAP3K20 Q9NYL2 1/20 0.58

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
SCHEMBL2282782 0.92 DDR1 (0.78) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL17208647 0.89 BRAF (0.71) BRAFEGFRDDR1ABL1FGFR1
SCHEMBL17208616 0.88 DDR1 (0.85) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL2283239 0.86 DDR1 (0.74) BRAFEGFRDDR1ABL1FGFR1
SCHEMBL26882896 0.85 DDR1 (0.59) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL17208710 0.85 MAP3K20 (0.64) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL17208708 0.84 MAPK14 (0.65) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL2278943 0.84 DDR1 (0.65) DDR1ABL1MAP3K7EPHA2CSK
SCHEMBL17515255 0.82 DDR1 (0.95) BRAFEGFRDDR1ABL1MAP3K7
SCHEMBL17208714 0.81 BRAF (0.76) BRAFEGFR

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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