SCHEMBL30701653

SCHEMBL30701653

COc1ncc(-c2cc(Cl)cnn2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
CYP1A2 P05177 1/20 0.41
METAP2 P50579 1/20 0.41
HSD11B1 P28845 1/20 0.40
MDM2 Q00987 14/20 0.36
CRHR1 P34998 1/20 0.36
TP53 P04637 6/20 0.35
PLAU P00749 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 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
SCHEMBL22869325 1.00 QPCT (0.44) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL27191308 0.79 QPCT (0.41) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL31284643 0.79 QPCT (0.44) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL27191340 0.79 QPCT (0.41) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL29565225 0.78 QPCT (0.40) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL22869317 0.78 QPCT (0.40) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL29829231 0.77 QPCT (0.38) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL27191345 0.75 QPCT (0.38) QPCTQPCTLCYP1A2METAP2MDM2
SCHEMBL30701763 0.75 QPCT (0.38) QPCTQPCTLCYP1A2METAP2MDM2
SCHEMBL27191389 0.75 CYP1A2 (0.46) QPCTQPCTLCYP1A2METAP2HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
CN-119384415-A CD73 compounds 吉利德科学公司 2025-01-28 CN disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed