SCHEMBL1698314

SCHEMBL1698314

Cc1ccc(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.61
EGFR P00533 13/20 0.61
KIT P10721 4/20 0.57
CSF1R P07333 3/20 0.57
ABL1 P00519 1/20 0.56
SRC P12931 1/20 0.56

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
SCHEMBL1697899 0.92 BRAF (0.70) BRAFEGFRKITCSF1R
SCHEMBL13878771 0.76 BRAF (0.78) BRAFEGFRKITCSF1R
SCHEMBL13878770 0.75 BRAF (0.79) BRAFEGFRKITCSF1RABL1
SCHEMBL1697953 0.75 BRAF (0.58) BRAFEGFRKITCSF1R
SCHEMBL13878763 0.75 BRAF (0.74) BRAFEGFRKITCSF1RABL1
SCHEMBL15121678 0.74 BRAF (0.56) BRAFEGFRKITCSF1RABL1
SCHEMBL31620739 0.74 BRAF (0.86) BRAFEGFRKITCSF1R
SCHEMBL13708173 0.73 BRAF (0.76) BRAFEGFRKITCSF1RABL1
SCHEMBL1698180 0.73 BRAF (0.55) BRAFEGFRKITCSF1R
SCHEMBL20912769 0.73 KIT (0.71) BRAFEGFRKITABL1SRC

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
EP-2576566-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS MSD Oss B.V. (NL) 2013-04-10 EP disclosed
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 WO disclosed