SCHEMBL29386863

SCHEMBL29386863

COc1ncc(-c2cc(C3CC3)c(OC)nn2)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.39
▸ QPCTL Q9NXS2 1/20 0.39
▸ PPARD Q03181 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ MTOR P42345 2/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ CRHR1 P34998 1/20 0.34
▸ MDM2 Q00987 9/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33

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
SCHEMBL22869347 1.00 QPCT (0.39) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL22869345 0.95 ALOX5AP (0.38) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL30477942 0.95 ALOX5AP (0.38) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL22869354 0.94 QPCT (0.37) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL29387879 0.94 QPCT (0.37) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL23054311 0.90 QPCT (0.38) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL22869350 0.88 QPCT (0.37) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL30477940 0.88 QPCT (0.37) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL22869318 0.87 QPCT (0.36) QPCTQPCTLPPARDCYP1A2METAP2
SCHEMBL22869282 0.86 QPCT (0.36) QPCTQPCTLPPARDCYP1A2METAP2

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-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 — — EP disclosed
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