SCHEMBL22200799

SCHEMBL22200799

Cc1ccc(CSNc2c(F)cc(-c3nc4cnc(N)nc4n(C(C)C)c3=O)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
MTOR P42345 5/20 0.33
ERN1 O75460 3/20 0.32
PIK3CA P42336 4/20 0.32
BRAF P15056 1/20 0.32
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL22200594 0.94 RORC (0.34) RORCERN1BRAF
SCHEMBL22200826 0.89 ERN1 (0.39) RORCMTORERN1PIK3CARPS6KA3
SCHEMBL25035364 0.85 ERN1 (0.42) RORCMTORERN1PIK3CABRAF
SCHEMBL22200788 0.83 USP2 (0.40) ERN1
SCHEMBL22200612 0.82 RORC (0.35) RORCERN1BRAF
SCHEMBL25035534 0.82 RORC (0.39) RORC
SCHEMBL22200635 0.82 ERN1 (0.39) ERN1
SCHEMBL22200816 0.81 ERN1 (0.38) RORCMTORERN1
SCHEMBL22200549 0.81 ERN1 (0.37) MTORERN1
SCHEMBL22200721 0.79 RORC (0.35) RORCMTORERN1BRAF

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