SCHEMBL11862452

SCHEMBL11862452

COc1ccc(-n2cnc3c(N)ncnc32)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 15/20 0.69
PI4KA P42356 14/20 0.69
PI4K2B Q8TCG2 14/20 0.69
PI4K2A Q9BTU6 14/20 0.69
EGFR P00533 3/20 0.57
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
NSD3 Q9BZ95 1/20 0.44
PIK3CD O00329 2/20 0.44
ABL1 P00519 2/20 0.44
HCK P08631 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
EPHB4 P54760 2/20 0.44
PRKDC P78527 2/20 0.44
SLC2A1 P11166 1/20 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
SCHEMBL27422663 0.88 PI4KA (0.64) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL11829935 0.84 PI4KA (0.48) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL18292155 0.82 PI4KA (1.00) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL11813800 0.79 PI4KA (0.62) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL6354390 0.78 PI4KA (0.69) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL11842210 0.77 MAPT (0.46) PI4KBPI4KAPI4K2BPI4K2AADORA2A
SCHEMBL21638051 0.77 PI4KA (0.72) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL3538512 0.76 PI4KA (0.77) PI4KBPI4KAPI4K2BPI4K2AEGFR
SCHEMBL11862441 0.75 ADORA2A (0.60) PI4KBPI4KAPI4K2BPI4K2AADORA2A
SCHEMBL17815604 0.75 XDH (0.41) PI4KBPI4KAPI4K2BPI4K2ASRC

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
US-3936454-A ANTIANGINAL, BRONCHODILATOR WARNER-LAMBERT COMPANY (US) 1976-02-03 US disclosed