SCHEMBL30404451

SCHEMBL30404451

COc1ccc(-c2ccc3ncc4c([nH]c(=O)n4C)c3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.56
PIK3CA P42336 12/20 0.56
MTOR P42345 10/20 0.56
ATR Q13535 5/20 0.56
PIK3CD O00329 4/20 0.54
PIK3CB P42338 3/20 0.47
PIK3CG P48736 2/20 0.47
CSNK2A2 P19784 1/20 0.47
FECH P22830 1/20 0.47
CLK1 P49759 1/20 0.47
GSK3A P49840 1/20 0.47
DYRK1A Q13627 1/20 0.47
MELK Q14680 1/20 0.47
MYLK3 Q32MK0 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.47
TP53RK Q96S44 1/20 0.47
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
KCNH2 Q12809 2/20 0.43

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
SCHEMBL23634688 0.84 ATM (0.41) ATMPIK3CAMTORATRPIK3CD
SCHEMBL19618854 0.84 ATM (0.65) ATMPIK3CAMTORATRPIK3CD
SCHEMBL19346438 0.84 ATM (0.62) ATMPIK3CAMTORATRPIK3CD
SCHEMBL18114217 0.79 ACVR1 (0.58) ATMPIK3CAMTORATRPIK3CD
SCHEMBL16748222 0.78 MTOR (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16748224 0.75 GABRA1 (0.49)
SCHEMBL21913359 0.75 MTOR (0.36) ATMPIK3CAMTORATRPIK3CD
SCHEMBL18844674 0.75 ATM (0.64) ATMPIK3CAMTORATRPIK3CD
SCHEMBL21913411 0.74 ATM (0.38) ATMPIK3CAMTORATR
SCHEMBL18114245 0.74 PRMT5 (0.44) ATMPIK3CAMTORATRPIK3CD

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed