SCHEMBL22200729

SCHEMBL22200729

CC(C)n1c(=O)c(-c2ccc(NSCC3CCCC3)c(F)c2)cc2cnc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
BRAF P15056 1/20 0.38
PIK3CA P42336 8/20 0.38
MTOR P42345 3/20 0.38
SRC P12931 2/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
EGFR P00533 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL22200373 0.99 ERN1 (0.43) ERN1BRAFPIK3CAMTORSRC
SCHEMBL22200370 0.91 ERN1 (0.42) ERN1BRAFPIK3CAMTORSRC
SCHEMBL22200625 0.87 ERN1 (0.43) ERN1BRAFPIK3CAMTORSRC
SCHEMBL22200654 0.86 ERN1 (0.42) ERN1MTORSRCLCKKIT
SCHEMBL22200643 0.85 ERN1 (0.42) ERN1MTORSRCLCKKIT
SCHEMBL25035554 0.85 ERN1 (0.51) ERN1BRAFPIK3CAMTOR
SCHEMBL22200470 0.85 ERN1 (0.42) ERN1MTORSRCLCKKIT
SCHEMBL25035529 0.84 ERN1 (0.50) ERN1BRAFPIK3CAMTOR
SCHEMBL22200572 0.83 ERN1 (0.40) ERN1BRAFPIK3CAMTORSRC
SCHEMBL22200366 0.83 ERN1 (0.47) ERN1BRAFPIK3CAMTORSRC

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