SCHEMBL30224462

SCHEMBL30224462

CC(C)(C)COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HCRTR2 O43614 1/20 0.32
▸ SYK P43405 1/20 0.31

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
SCHEMBL25005896 0.92 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224893 0.92 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224274 0.92 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994494 0.90 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224427 0.90 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994719 0.89 NPSR1 (0.39) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL28947367 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224334 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994264 0.88 NPSR1 (0.39) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30181620 0.88 NPSR1 (0.39) NPSR1ATMMEN1KMT2ASMN1; SMN2

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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