SCHEMBL31284643

SCHEMBL31284643

COc1ncc(-c2cc(Cl)ccn2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
MDM2 Q00987 16/20 0.40
TP53 P04637 5/20 0.39
CRHR1 P34998 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
HSD11B1 P28845 1/20 0.38
MDM4 O15151 1/20 0.38

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 0.79 QPCT (0.44) QPCTQPCTLMDM2TP53CRHR1
SCHEMBL27191308 0.79 QPCT (0.41) QPCTQPCTLMDM2TP53CRHR1
SCHEMBL27191340 0.79 QPCT (0.41) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL30701653 0.79 QPCT (0.44) QPCTQPCTLMDM2TP53CRHR1
SCHEMBL30701743 0.76 QPCT (0.43) QPCTQPCTLMDM2CRHR1CYP1A2
SCHEMBL30947432 0.76 QPCT (0.43) QPCTQPCTLMDM2CRHR1CYP1A2
SCHEMBL29809511 0.75 HSD11B1 (0.57) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL4743846 0.75 HSD11B1 (0.57) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL3570149 0.75 RECQL (0.49) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL30701763 0.75 QPCT (0.38) QPCTQPCTLMDM2TP53CYP1A2

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
CN-119384415-A CD73 compounds 吉利德科学公司 2025-01-28 CN disclosed