SCHEMBL8134754

SCHEMBL8134754

Nc1cc(=O)n2[nH]cnc2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 18/20 0.64
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7014760 0.67 KDM5B (0.50) KDM5BTP53
SCHEMBL7131027 0.67 KDM5B (0.50) KDM5BKDM4E
SCHEMBL7665757 0.64 KDM5B (0.44) KDM5B
SCHEMBL17784391 0.60 KDM5B (0.43) KDM5B
SCHEMBL6403829 0.57 BACE1 (0.49) KDM4E
SCHEMBL25575726 0.56 CDK9 (0.41)
SCHEMBL25212201 0.55 NOS3 (0.35)
SCHEMBL24879507 0.55 SCN5A (0.40)
SCHEMBL7664337 0.54 KDM5B (0.39) KDM5B
SCHEMBL11463496 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0978517-A2 Triazolopurines, process for their preparation and their use as medicaments Boehringer Ingelheim Pharma KG (DE) 2000-02-09 EP disclosed
EP-0880524-A1 NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 1998-12-02 EP disclosed
WO-1998003511-A1 NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-01-29 WO disclosed