SCHEMBL30224517

SCHEMBL30224517

COc1ncc(-c2cc([C@H]3C[C@@H]3c3cccc4cnccc34)c3nccn3n2)c(OC)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.33
▸ SYK P43405 4/20 0.33
▸ HASPIN Q8TF76 2/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PTGDR Q13258 1/20 0.31
▸ MDM2 Q00987 1/20 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
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ PLK1 P53350 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
SCHEMBL25005301 1.00 MTOR (0.33) MTORSYKHASPINPPARDACP1
SCHEMBL23992930 0.93 MTOR (0.33) MTORSYKPPARDACP1MDM2
SCHEMBL30224245 0.93 MTOR (0.33) MTORSYKPPARDACP1MDM2
SCHEMBL30224464 0.92 SYK (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23994016 0.92 SYK (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23994033 0.86 MTOR (0.35) MTORSYKPPARDACP1MDM2
SCHEMBL30224304 0.86 ACP1 (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23993568 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2
SCHEMBL23993616 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2
SCHEMBL30224370 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2

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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