SCHEMBL30224155

SCHEMBL30224155

COc1ncc(-c2cc(C3CC3)c3nc(C4CC4)cn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ METAP2 P50579 1/20 0.32

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
SCHEMBL23992885 1.00 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994710 0.92 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994708 0.86 PPARD (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994707 0.86 PPARD (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224235 0.84 PPARD (0.37) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994018 0.84 PPARD (0.37) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224465 0.84 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23991557 0.84 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994025 0.84 RIPK1 (0.34) MTORPPARDACP1CYP1A2MDM2
SCHEMBL30224588 0.84 RIPK1 (0.34) MTORPPARDACP1CYP1A2MDM2

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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