SCHEMBL26102379

SCHEMBL26102379

CONc1nc(N)nc2c1ncn2-n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.50
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PNP P00491 3/20 0.43
▸ BLM P54132 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TK1 P04183 2/20 0.41

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
SCHEMBL986800 0.80 XDH (0.60) XDHMEN1KMT2APNPBLM
SCHEMBL1825531 0.79 XDH (0.51) XDHMEN1KMT2APNPBLM
SCHEMBL15005119 0.79 XDH (0.59) XDHMEN1KMT2APNPBLM
SCHEMBL556881 0.77 XDH (0.50) XDHMEN1KMT2APNPBLM
SCHEMBL13346990 0.74 CDK1 (0.56) CYP3A4NFKB1
SCHEMBL28026660 0.71 XDH (0.58) XDHMEN1KMT2APNPBLM
SCHEMBL1831279 0.70 XDH (0.50) XDHMEN1KMT2APNPBLM
SCHEMBL72147 0.70 XDH (0.50) XDHMEN1KMT2APNPBLM
SCHEMBL1375443 0.70 XDH (0.54) XDHMEN1KMT2APNPBLM
SCHEMBL27667185 0.70 XDH (0.63) XDHPNPBLMUSP2TSHR

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-2023076741-A1 DNA REVERTASE BRADLEY CHRISTOPHER 2023-05-04 — — WO disclosed
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