SCHEMBL9504538

SCHEMBL9504538

COCc1cccc(Cn2cnc3c(=O)[nH]c(N)nc32)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 16/20 0.72
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
XDH P47989 2/20 0.52
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
EDNRA P25101 1/20 0.50
HTR2A P28223 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPRT1 P00492 1/20 0.48

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
SCHEMBL10509240 0.87 PNP (0.73) PNPHSP90AA1HSP90AB1XDH
SCHEMBL27868175 0.86 PNP (0.76) PNPUSP2TSHREDNRAHTR2A
SCHEMBL20970000 0.85 PNP (0.74) PNPHSP90AA1HSP90AB1XDH
SCHEMBL9503573 0.84 PNP (1.00) PNPHPRT1
SCHEMBL9504543 0.84 PNP (1.00) PNPHPRT1
SCHEMBL9234450 0.83 PNP (0.74) PNP
SCHEMBL3304421 0.83 PNP (0.74) PNPUSP2TSHREDNRAHTR2A
SCHEMBL21433942 0.83 PNP (0.74) PNPUSP2TSHREDNRAHTR2A
SCHEMBL10506929 0.83 PNP (0.78) PNPHSP90AA1HSP90AB1XDH
SCHEMBL9502878 0.83 PNP (0.80) PNPHPRT1

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-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed