SCHEMBL22200370

SCHEMBL22200370

CC(C)n1c(=O)c(-c2ccc(NSCC3CC(F)(F)C3)c(F)c2)cc2cnc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
PIK3CA P42336 6/20 0.39
MTOR P42345 3/20 0.39
BRAF P15056 1/20 0.38
BTK Q06187 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL22200729 0.91 ERN1 (0.43) ERN1PIK3CAMTORBRAFFGFR1
SCHEMBL22200373 0.90 ERN1 (0.43) ERN1PIK3CAMTORBRAFFGFR1
SCHEMBL22200827 0.86 ERN1 (0.42) ERN1PIK3CAMTORTLR9TLR8
SCHEMBL22200625 0.85 ERN1 (0.43) ERN1PIK3CAMTORBRAFFGFR1
SCHEMBL25034128 0.85 ERN1 (0.48) ERN1PIK3CAMTORBRAFFGFR1
SCHEMBL22200615 0.84 ERN1 (0.40) ERN1PIK3CAMTORBRAFBTK
SCHEMBL22200366 0.83 ERN1 (0.47) ERN1PIK3CAMTORBRAFBTK
SCHEMBL22200572 0.83 ERN1 (0.40) ERN1PIK3CAMTORBRAFBTK
SCHEMBL22200559 0.82 ERN1 (0.40) ERN1PIK3CAMTORBRAFBTK
SCHEMBL22200626 0.82 ERN1 (0.41) ERN1PIK3CAMTORBRAFFGFR1

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