SCHEMBL22200533

SCHEMBL22200533

CC(C)Nc1ncc2cc(-c3cc(F)c(NSCCC(F)(F)F)c(F)c3F)c(=O)n(C(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
FGFR1 P11362 2/20 0.39
MAPK8 P45983 6/20 0.37
MAPK14 Q16539 5/20 0.37
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
BRAF P15056 2/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 3/20 0.32
MAPK10 P53779 3/20 0.32
MAPK11 Q15759 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BTK Q06187 1/20 0.31
WEE1 P30291 1/20 0.31
ABL1 P00519 2/20 0.31
GAK O14976 1/20 0.31
EPHA1 P21709 1/20 0.31

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
SCHEMBL22190769 0.84 ERN1 (0.51) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL22200333 0.84 ERN1 (0.46) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL29355774 0.84 ERN1 (0.51) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL22200443 0.83 ERN1 (0.45) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL22200324 0.82 ERN1 (0.40) ERN1FGFR1BRAFBTKFGFR2
SCHEMBL22200341 0.81 ERN1 (0.46) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL22200537 0.76 BRAF (0.37) ERN1FGFR1BRAFBTKFGFR2
SCHEMBL22190679 0.75 ERN1 (0.60) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL29356440 0.75 ERN1 (0.60) ERN1FGFR1MAPK8MAPK14CDK4
SCHEMBL25035286 0.72 ERN1 (0.47) ERN1BRAF

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