SCHEMBL15214970

SCHEMBL15214970

CC1N(C)c2c(n(C)c(=O)n(C)c2=O)N1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL3192497 0.78 KDM4E (0.30) KMT2ARXFP1
SCHEMBL15246613 0.77 PDE4A (0.32) —
SCHEMBL1008469 0.64 ADORA2A (0.31) ADORA2A
SCHEMBL4058851 0.64 KMT2A (0.33) KMT2AADORA2A
Iodide SCHEMBL1609671 0.62 KMT2A (0.32) KMT2AADORA2A
SCHEMBL141994 0.58 GSK3A (0.44) ADORA2A
SCHEMBL21891275 0.53 ALDH1A1 (0.33) KMT2AADORA2A
SCHEMBL7083772 0.53 GSK3A (0.39) ADORA2A
SCHEMBL13325450 0.53 ADORA2A (0.41) KMT2ARXFP1ADORA2A
SCHEMBL13024384 0.53 ADORA2A (0.41) ADORA2A

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-1660444-B1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS UNIV AKRON (US) 2014-11-12 — — EP disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
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