SCHEMBL22200536

SCHEMBL22200536

Nc1ncc2cc(-c3ccc(NSCc4ccccc4)c(F)c3F)c(=O)n(CC(F)(F)F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
PIK3CA P42336 2/20 0.38
PAK1 Q13153 1/20 0.36
PAK2 Q13177 1/20 0.36
EGFR P00533 2/20 0.35
FGFR1 P11362 2/20 0.35
SRC P12931 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL22200697 0.84 BRAF (0.40) BRAFEGFRFGFR1SRCFGFR2
SCHEMBL25034179 0.84 BRAF (0.46) BRAF
SCHEMBL22200682 0.74 FGFR1 (0.44) BRAFEGFRFGFR1SRCFGFR2
SCHEMBL22200721 0.73 RORC (0.35) BRAF
SCHEMBL22200335 0.73 WEE1 (0.34) BRAFFGFR1ABL1
SCHEMBL25035525 0.73 BRAF (0.51) BRAF
SCHEMBL25035620 0.72 BRAF (0.49) BRAF
SCHEMBL22200701 0.72 ERN1 (0.42) BRAFPIK3CAEGFRFGFR1SRC
SCHEMBL25035437 0.71 BRAF (0.45) BRAFPAK1
SCHEMBL25035672 0.70 BRAF (0.56) BRAF

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
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed