SCHEMBL6826187

SCHEMBL6826187

Nc1nc2ncnc(F)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PNP P00491 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PI4KA P42356 7/20 0.38
▸ PI4K2B Q8TCG2 7/20 0.38
▸ PI4K2A Q9BTU6 7/20 0.38
▸ PI4KB Q9UBF8 7/20 0.38
▸ LMNA P02545 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL42314 0.79 ADORA2A (0.66) NUDT1ADORA2AADORA1ALDH1A1PI4KA
SCHEMBL5490464 0.76 KDM4E (0.44) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL5667619 0.76 ADORA2A (0.43) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL1868817 0.76 ADORA2A (0.43) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL6831171 0.76 ADORA2A (0.52) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL6829681 0.76 ADORA2A (0.43) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL6826186 0.73 ALDH1A1 (0.35) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL9850315 0.72 NUDT1 (0.40) NUDT1ADORA2AADORA1PNPKDM4E
SCHEMBL30962317 0.68 ADORA2A (0.61) NUDT1ADORA2AADORA1ALDH1A1PI4KA
SCHEMBL843217 0.68 ADORA2A (0.61) NUDT1ADORA2AADORA1ALDH1A1PI4KA

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
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 — — US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 — — WO disclosed
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