SCHEMBL30224618

SCHEMBL30224618

COc1ncc(-c2cc(C3CCC(F)(F)CC3)c3nc(C)nn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ HSD11B1 P28845 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ MDM2 Q00987 10/20 0.32
▸ TP53 P04637 4/20 0.32
▸ MDM4 O15151 2/20 0.32
▸ BRD4 O60885 1/20 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
SCHEMBL23993200 1.00 PDE10A (0.36) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL23993201 0.84 MTOR (0.36) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL30224597 0.84 MTOR (0.36) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL23993138 0.83 MTOR (0.36) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL23993993 0.79 MDM2 (0.34) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL30224152 0.79 MDM2 (0.34) PDE10AMTORPIK3CDABL1EGFR
SCHEMBL23991742 0.77 MTOR (0.41) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994710 0.77 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23991638 0.74 MTOR (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL22869353 0.74 QPCT (0.33) PDE10AMTORPIK3CDABL1EGFR

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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