SCHEMBL30224496

SCHEMBL30224496

COc1ncc(-c2cc(N3C[C@H]4CC[C@@H]3C4)c3nccn3n2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.35
▸ MDM2 Q00987 9/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 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
SCHEMBL25005578 1.00 MTOR (0.35) MTORMDM2PPARDACP1SYK
SCHEMBL30224518 0.94 MTOR (0.36) MTORMDM2PPARDACP1SYK
SCHEMBL25005978 0.94 MTOR (0.36) MTORMDM2PPARDACP1SYK
SCHEMBL25004957 0.94 MTOR (0.36) MTORMDM2PPARDACP1SYK
SCHEMBL25005983 0.93 MDM2 (0.36) MTORMDM2PPARDACP1SYK
SCHEMBL30224694 0.93 MDM2 (0.36) MTORMDM2PPARDACP1SYK
SCHEMBL23992887 0.88 MTOR (0.35) MTORMDM2PPARDACP1SYK
SCHEMBL25005507 0.85 MDM2 (0.38) MTORMDM2PPARDSYKMEN1
SCHEMBL25005189 0.84 MDM2 (0.34) MTORMDM2PPARDACP1SYK
SCHEMBL30224553 0.84 MDM2 (0.34) MTORMDM2PPARDACP1SYK

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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