Sugi Predict

Sugi Predict / Compounds / SCHEMBL29356138

SCHEMBL29356138

SCHEMBL29356138

CC[C@@H](C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCC(F)(F)F)c(F)c2)cc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.41
▸ BRAF P15056 12/20 0.38
▸ ALOX5AP P20292 5/20 0.36
▸ FEN1 P39748 5/20 0.36
▸ KIT P10721 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL22190909 1.00 ERN1 (0.41) ERN1BRAFALOX5APFEN1KIT
SCHEMBL29352926 0.93 ERN1 (0.46) ERN1BRAFALOX5APFEN1JAK1
SCHEMBL22190791 0.93 ERN1 (0.46) ERN1BRAFALOX5APFEN1JAK1
SCHEMBL25035518 0.90 BRAF (0.49) ERN1BRAFALOX5APFEN1KIT
SCHEMBL25035650 0.90 BRAF (0.49) ERN1BRAFALOX5APFEN1KIT
SCHEMBL22191059 0.88 ERN1 (0.42) ERN1BRAFALOX5APFEN1KIT
SCHEMBL29357269 0.88 ERN1 (0.42) ERN1BRAFALOX5APFEN1KIT
SCHEMBL29357666 0.85 ERN1 (0.43) ERN1BRAFALOX5APFEN1
SCHEMBL22190763 0.85 ERN1 (0.43) ERN1BRAFALOX5APFEN1
SCHEMBL25034109 0.82 BRAF (0.49) ERN1BRAFALOX5APFEN1

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
EP-3941919-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) 2022-01-26 — — EP disclosed