SCHEMBL30224412

SCHEMBL30224412

COc1ncc(-c2cc(N3CC(C)(C(F)F)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.34
▸ BRAF P15056 7/20 0.34
▸ SYK P43405 4/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ QPCT Q16769 1/20 0.30
▸ QPCTL Q9NXS2 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
SCHEMBL23994122 1.00 RAF1 (0.34) RAF1BRAFSYKMTORPIK3CD
SCHEMBL30224144 0.89 SYK (0.34) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23994039 0.89 SYK (0.34) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23993461 0.89 SYK (0.34) RAF1BRAFSYKMTORPIK3CD
SCHEMBL30224356 0.88 SYK (0.32) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23994008 0.88 SYK (0.32) RAF1BRAFSYKMTORPIK3CD
SCHEMBL30224228 0.86 SYK (0.32) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23993167 0.86 SYK (0.32) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23993228 0.86 SYK (0.32) RAF1BRAFSYKMTORPIK3CD
SCHEMBL23994134 0.85 CYP1A2 (0.34) RAF1BRAFSYKMTORPIK3CD

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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