SCHEMBL22200653

SCHEMBL22200653

Cc1nc(NSc2ccccc2F)ccc1-c1nc2cnc(N)nc2n(C(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.38
BTK Q06187 1/20 0.35
PIK3CA P42336 6/20 0.34
RORC P51449 3/20 0.34
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL22200424 0.91 MTOR (0.37) MTORPIK3CARORC
SCHEMBL22200818 0.88 MTOR (0.36) MTORPIK3CARORC
SCHEMBL22200739 0.86 BTK (0.43) MTORBTKPIK3CA
SCHEMBL25034228 0.82 FEN1 (0.39) MTORPIK3CARORCALOX5APFEN1
SCHEMBL22200825 0.81 CYP1A2 (0.36) MTORBTKRORCALDH1A1HPGD
SCHEMBL22200792 0.80 MTOR (0.35) MTORPIK3CARORC
SCHEMBL22200378 0.78 ERN1 (0.34) ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL22200802 0.77 MTOR (0.41) MTORPIK3CAALDH1A1HPGDHSD17B10
SCHEMBL25035336 0.76 PKM (0.41) MTORPIK3CARORCALOX5APFEN1
SCHEMBL25035392 0.76 ERN1 (0.41) MTORRORCALDH1A1HPGDHSD17B10

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