SCHEMBL30224920

SCHEMBL30224920

COc1ncc(-c2cc(N3CCC(F)(F)CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 14/20 0.36
▸ BRAF P15056 14/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ MTOR P42345 2/20 0.34
▸ 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
▸ HSD11B1 P28845 1/20 0.34
▸ SMPD3 Q9NY59 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL23993202 1.00 RAF1 (0.36) RAF1BRAFGSK3AMTORPIK3CD
SCHEMBL23994803 0.96 SMPD3 (0.37) RAF1BRAFGSK3AMTORPIK3CD
SCHEMBL30224460 0.96 SMPD3 (0.37) RAF1BRAFGSK3AMTORPIK3CD
SCHEMBL23994801 0.92 SYK (0.37) RAF1BRAFMTORPIK3CDABL1
SCHEMBL23994479 0.92 HSD11B1 (0.35) RAF1BRAFMTORPIK3CDABL1
SCHEMBL30224260 0.92 HSD11B1 (0.35) RAF1BRAFMTORPIK3CDABL1
SCHEMBL23993503 0.91 PDE1B (0.33) RAF1BRAFMTORPIK3CDABL1
SCHEMBL23994419 0.91 HSD11B1 (0.35) RAF1BRAFMTORPIK3CDABL1
SCHEMBL23992886 0.91 RAF1 (0.33) RAF1BRAFMTORPIK3CDABL1
SCHEMBL23994039 0.90 SYK (0.34) RAF1BRAFMTORPIK3CDABL1

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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