SCHEMBL30224296

SCHEMBL30224296

COc1ncc(-c2cc([C@H]3C[C@@H]3C3CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.34
▸ MTOR P42345 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ QPCT Q16769 1/20 0.31
▸ QPCTL Q9NXS2 1/20 0.31
▸ MDM2 Q00987 2/20 0.31

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
SCHEMBL23993933 1.00 PPARD (0.34) PPARDMTORSYKPIK3CDABL1
SCHEMBL23994040 0.90 MTOR (0.32) PPARDMTORSYKPIK3CDABL1
SCHEMBL23994037 0.90 MTOR (0.32) PPARDMTORSYKPIK3CDABL1
SCHEMBL23991557 0.85 MTOR (0.38) PPARDMTORSYKPIK3CDABL1
SCHEMBL30224465 0.85 MTOR (0.38) PPARDMTORSYKPIK3CDABL1
SCHEMBL30181590 0.85 MTOR (0.35) PPARDMTORSYKPIK3CDABL1
SCHEMBL23993405 0.85 MTOR (0.35) PPARDMTORSYKPIK3CDABL1
SCHEMBL29467452 0.85 MTOR (0.37) PPARDMTORSYKPIK3CDABL1
SCHEMBL23994049 0.84 CYP1A2 (0.37) PPARDMTORSYKPIK3CDABL1
SCHEMBL23994054 0.84 CYP1A2 (0.37) PPARDMTORSYKPIK3CDABL1

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-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
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