SCHEMBL23995118

SCHEMBL23995118

CC1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.39
▸ SYK P43405 1/20 0.35
▸ RAF1 P04049 14/20 0.35
▸ BRAF P15056 14/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ EGLN2 Q96KS0 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
SCHEMBL23994424 0.94 SYK (0.40) NT5ESYKRAF1BRAFPIK3R1
SCHEMBL23993609 0.88 MAPT (0.46) NT5ESYKRAF1BRAFMAPT
SCHEMBL23993317 0.88 NT5E (0.42) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL25004418 0.88 NT5E (0.40) NT5ESYKRAF1BRAFPIK3R1
SCHEMBL23994589 0.87 MAPT (0.48) NT5ESYKRAF1BRAFMAPT
SCHEMBL23993785 0.87 MAPT (0.48) NT5ESYKRAF1BRAFMAPT
SCHEMBL23994437 0.87 NT5E (0.38) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL25004243 0.87 NT5E (0.38) NT5ERAF1BRAFMAPTKDM4C
SCHEMBL23994833 0.85 NT5E (0.38) NT5ESYKRAF1BRAFMAPT
SCHEMBL23994834 0.85 NT5E (0.38) NT5ESYKRAF1BRAFMAPT

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
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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