SCHEMBL22200710

SCHEMBL22200710

CC(C(F)F)n1c(=O)c(-c2ccc(NSCc3ccccc3)c(F)c2F)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.31
BRAF P15056 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
SCHEMBL22200697 0.77 BRAF (0.40) FGFR1BRAF
SCHEMBL22200335 0.76 WEE1 (0.34) FGFR1BRAF
SCHEMBL22200682 0.72 FGFR1 (0.44) FGFR1BRAF
SCHEMBL29353158 0.72 ERN1 (0.39) BRAF
SCHEMBL22191003 0.72 ERN1 (0.39) BRAF
SCHEMBL25035677 0.72 BRAF (0.47) BRAF
SCHEMBL29354977 0.71 ERN1 (0.39) BRAF
SCHEMBL22190942 0.71 ERN1 (0.39) BRAF
SCHEMBL22200536 0.69 BRAF (0.38) FGFR1BRAF
SCHEMBL22200519 0.68 ERN1 (0.42) FGFR1BRAF

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