SCHEMBL30947432

SCHEMBL30947432

COc1ncc(-c2ccnc(C)n2)c(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
DYRK1A Q13627 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CDK2 P24941 2/20 0.40
MTOR P42345 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
PLAU P00749 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL30701743 1.00 QPCT (0.43) QPCTQPCTLDYRK1ADYRK1BCDK2
SCHEMBL3560406 0.78 CCR1 (0.46) QPCTQPCTLMTORCRHR1CYP1A2
SCHEMBL30701742 0.78 NPSR1 (0.50) DYRK1ADYRK1BCDK2KDM4ELMNA
SCHEMBL31284643 0.76 QPCT (0.44) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL27191366 0.76 QPCT (0.41) QPCTQPCTLMTORPIK3CDCRHR1
SCHEMBL30701718 0.76 QPCT (0.41) QPCTQPCTLMTORPIK3CDCRHR1
SCHEMBL30961330 0.75 QPCT (0.43) QPCTQPCTLMTORPIK3CDCRHR1
SCHEMBL3700454 0.75 AAK1 (0.38) DYRK1ADYRK1BCDK2KDM4ELMNA
SCHEMBL29614439 0.75 PDE10A (0.44) QPCTQPCTLMTORPIK3CDCRHR1
SCHEMBL3570149 0.74 RECQL (0.49) QPCTQPCTLMTORPIK3CDPIK3C3

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