SCHEMBL30224465

SCHEMBL30224465

COc1ncc(-c2cc(C3CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ SYK P43405 5/20 0.36
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ RAF1 P04049 3/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ CYP1A2 P05177 2/20 0.32

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
SCHEMBL23991557 1.00 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994473 0.93 MTOR (0.39) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993138 0.92 MTOR (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994060 0.86 JAK2 (0.35) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224296 0.85 PPARD (0.34) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993933 0.85 PPARD (0.34) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994710 0.85 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23992885 0.84 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224155 0.84 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993405 0.84 MTOR (0.35) MTORPIK3CDABL1EGFRHCK

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