SCHEMBL17165115

SCHEMBL17165115

CS(=O)(=O)Sc1ncc2c(=O)[nH][nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.35
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 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
SCHEMBL2599063 0.80 MEN1 (0.44) XDHMEN1KMT2A
SCHEMBL17165094 0.73 — —
SCHEMBL4219276 0.59 ADORA2A (0.34) XDH
SCHEMBL29547282 0.59 ADORA2A (0.34) XDH
Hydrochloric Acid SCHEMBL30378653 0.58 ADORA2A (0.33) XDH
Hydrochloric Acid SCHEMBL30561516 0.58 ADORA2A (0.33) XDH
SCHEMBL12680365 0.58 ADORA1 (0.52) MEN1KMT2A
SCHEMBL15785416 0.57 PARP1 (0.37) —
SCHEMBL22057623 0.55 KMT2A (0.56) MEN1KMT2A
SCHEMBL22585445 0.55 KMT2A (0.42) MEN1KMT2A

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
WO-2015157125-A1 THERAPUETIC USES OF SELECTED PYRAZOLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-15 — — WO disclosed
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