SCHEMBL22200359

SCHEMBL22200359

COc1ccc(Cl)cc1CSNc1c(F)cc(-c2cc3cnc(N)nc3n(C(C)C)c2=O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
P2RX3 P56373 1/20 0.35
BRAF P15056 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 1/20 0.35
GNRHR P30968 1/20 0.34
FGFR1 P11362 4/20 0.34
FGFR2 P21802 3/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MDM2 Q00987 4/20 0.33
TP53 P04637 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
SCHEMBL25035468 0.86 ERN1 (0.49) ERN1P2RX3BRAFPIK3CAMTOR
SCHEMBL22200561 0.84 ERN1 (0.39) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200701 0.82 ERN1 (0.42) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200580 0.81 ERN1 (0.37) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200567 0.79 ERN1 (0.35) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200534 0.79 ERN1 (0.39) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200324 0.77 ERN1 (0.40) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200537 0.77 BRAF (0.37) ERN1BRAFPIK3CAMTORFGFR1
SCHEMBL22200334 0.77 ERN1 (0.42) ERN1BRAFFGFR1FGFR2FGFR4
SCHEMBL22200368 0.77 ERN1 (0.35) ERN1BRAFPIK3CAMTORFGFR1

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