SCHEMBL30224149

SCHEMBL30224149

COc1ncc(-c2cc(N3CCCC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.38
▸ SMPD3 Q9NY59 1/20 0.36
▸ RAF1 P04049 12/20 0.35
▸ BRAF P15056 12/20 0.35
▸ MTOR P42345 2/20 0.35
▸ SYK P43405 3/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34

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
SCHEMBL23992929 1.00 PLAU (0.38) PLAUSMPD3RAF1BRAFMTOR
SCHEMBL23994440 0.99 PLAU (0.39) PLAUSMPD3RAF1BRAFMTOR
SCHEMBL23993126 0.91 RAF1 (0.44) RAF1BRAFMTOR
SCHEMBL23993202 0.90 RAF1 (0.36) SMPD3RAF1BRAFMTORSYK
SCHEMBL30224920 0.90 RAF1 (0.36) SMPD3RAF1BRAFMTORSYK
SCHEMBL23994801 0.90 SYK (0.37) RAF1BRAFMTORSYKPIK3CD
SCHEMBL23992886 0.88 RAF1 (0.33) PLAUSMPD3RAF1BRAFMTOR
SCHEMBL23993461 0.87 SYK (0.34) RAF1BRAFMTORSYKPIK3CD
SCHEMBL23994039 0.87 SYK (0.34) RAF1BRAFMTORSYKPIK3CD
SCHEMBL30224144 0.87 SYK (0.34) RAF1BRAFMTORSYKPIK3CD

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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