SCHEMBL22200424

SCHEMBL22200424

Cc1nc(NSc2ccccc2Cl)ccc1-c1nc2cnc(N)nc2n(C(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
PIK3CA P42336 4/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL22200653 0.91 MTOR (0.38) MTORPIK3CARORC
SCHEMBL22200818 0.88 MTOR (0.36) MTORPIK3CARORC
SCHEMBL22200802 0.86 MTOR (0.41) MTOREGFRFGFR1SRCFGFR2
SCHEMBL22200785 0.85 FGFR1 (0.45) MTOREGFRFGFR1SRCFGFR2
SCHEMBL25035336 0.82 PKM (0.41) MTOREGFRFGFR1SRCFGFR2
SCHEMBL22200350 0.78 USP2 (0.38) MTOREGFRFGFR1SRCFGFR2
SCHEMBL22200792 0.78 MTOR (0.35) MTORPIK3CARORC
SCHEMBL22200825 0.77 CYP1A2 (0.36) MTORRORC
SCHEMBL22200378 0.77 ERN1 (0.34) EGFRFGFR1SRC
SCHEMBL22200739 0.77 BTK (0.43) MTOREGFRFGFR1SRCFGFR2

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