SCHEMBL30865653

SCHEMBL30865653

O=C(Cc1cccnc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)Cc4cccnc4)s3)CC2)s1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.80

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
SCHEMBL17654147 1.00 GLS (0.80) GLS
SCHEMBL17654132 0.89 GLS (1.00) GLS
SCHEMBL17654101 0.88 GLS (0.82) GLS
SCHEMBL22193563 0.88 GLS (0.75) GLS
SCHEMBL17654193 0.85 GLS (0.80) GLS
SCHEMBL28452921 0.84 GLS (0.90) GLS
SCHEMBL17654098 0.83 GLS (1.00) GLS
SCHEMBL17654173 0.83 GLS (1.00) GLS
SCHEMBL17664624 0.83 GLS (1.00) GLS
SCHEMBL17654174 0.83 GLS (1.00) GLS

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-3713569-B1 THERAPEUTIC PARTICLE COMPRISING A YAP1/WWRT1 INHIBITING AGENT AND THE GLUTAMINASE INHIBITING AGENT 2-CYCLOPROPYL-N-[5-(4-{ [5-(2-PHENYLACETAMIDO)-1,3,4-THIADIAZOL-2-YL]AMINO}PIPERIDIN-1-YL)-1,3,4-THIADIAZOL-2-YL] ACETAMIDE AND USE THEREOF FOR TREATING A PULMONARY DISEASE UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-03-13 — — EP disclosed
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