SCHEMBL30224191

SCHEMBL30224191

COCCNc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SYK P43405 13/20 0.35
▸ GAA P10253 1/20 0.34
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL30224896 0.88 NPSR1 (0.39) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL23994715 0.86 NPSR1 (0.37) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL23994106 0.79 GAA (0.49) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL23993446 0.79 NPSR1 (0.42) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL30224462 0.78 NPSR1 (0.42) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL25005896 0.77 NPSR1 (0.41) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL30224274 0.77 NPSR1 (0.41) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL30224893 0.77 NPSR1 (0.41) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL30224586 0.76 NPSR1 (0.39) NPSR1ATMMEN1KMT2AHPGD
SCHEMBL30224334 0.76 NPSR1 (0.40) NPSR1ATMMEN1KMT2AHPGD

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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