SCHEMBL30002995

SCHEMBL30002995

CCC1CNCCC1COc1cnc(-c2cccc(Cn3nc(-c4cccc(C#N)c4)ccc3=O)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.70
▸ NQO2 P16083 1/20 0.70

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
SCHEMBL2462450 0.87 MET (0.82) METNQO2
SCHEMBL30523589 0.87 MET (0.82) METNQO2
SCHEMBL3092215 0.84 MET (0.71) METNQO2
SCHEMBL30979633 0.84 MET (0.68) METNQO2
SCHEMBL2527856 0.83 MET (0.71) METNQO2
SCHEMBL2460622 0.83 MET (0.71) METNQO2
SCHEMBL2456013 0.83 MET (0.71) METNQO2
SCHEMBL12216797 0.83 MET (0.84) METNQO2
SCHEMBL2529970 0.83 MET (0.74) METNQO2
SCHEMBL2456742 0.83 MET (0.74) METNQO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346829-A1 COMPOUNDS FOR THE TREATMENT OF GLIOBLASTOMA Merck Patent GmbH (DE) 2024-04-10 — — EP disclosed
WO-2022253935-A1 COMPOUNDS FOR THE TREATMENT OF GLIOBLASTOMA MERCK PATENT GMBH (DE) 2022-12-08 — — WO disclosed
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