SCHEMBL30224347

SCHEMBL30224347

COc1ncc(-c2cc(N3CC(C4CCC4)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ MTOR P42345 2/20 0.33
▸ SYK P43405 5/20 0.32
▸ SMPD3 Q9NY59 1/20 0.32
▸ 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
▸ QPCT Q16769 1/20 0.30
▸ QPCTL Q9NXS2 1/20 0.30
▸ RAF1 P04049 1/20 0.30

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
SCHEMBL23991683 1.00 MDM2 (0.34) MDM2PPARDACP1MTORSYK
SCHEMBL23995187 0.96 PPARD (0.34) MDM2PPARDACP1MTORSYK
SCHEMBL30224541 0.96 PPARD (0.34) MDM2PPARDACP1MTORSYK
SCHEMBL23994402 0.90 MTOR (0.34) PPARDMTORSYKABL1RAF1
SCHEMBL30224553 0.89 MDM2 (0.34) MDM2PPARDACP1MTORSYK
SCHEMBL25005189 0.89 MDM2 (0.34) MDM2PPARDACP1MTORSYK
SCHEMBL30224369 0.88 MTOR (0.32) MDM2PPARDMTORSYKPIK3CD
SCHEMBL23994417 0.88 MTOR (0.32) MDM2PPARDMTORSYKPIK3CD
SCHEMBL23992887 0.87 MTOR (0.35) MDM2PPARDACP1MTORSYK
SCHEMBL23993989 0.87 MTOR (0.34) MDM2PPARDMTORSYKPIK3CD

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
Send feedback