SCHEMBL30224877

SCHEMBL30224877

C[C@H](COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

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
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ JAK3 P52333 2/20 0.30

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
SCHEMBL30224334 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL28947367 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL23994498 0.85 NPSR1 (0.38) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL30224462 0.84 NPSR1 (0.42) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL30224874 0.82 NPSR1 (0.41) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL25005896 0.82 NPSR1 (0.41) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL30224893 0.82 NPSR1 (0.41) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL30224274 0.82 NPSR1 (0.41) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL30224676 0.81 NPSR1 (0.38) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL23994494 0.81 NPSR1 (0.40) NPSR1ATMMEN1KMT2AKDM4E

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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