SCHEMBL8154479

SCHEMBL8154479

O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)c3c([AsH2])ncnc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSD A5PKW4 8/20 0.47
▸ MAPT P10636 4/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ ADK P55263 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL2044004 0.86 PPARG (0.54) PSDMAPTMCL1MEN1NPC1
SCHEMBL8148698 0.74 HPGD (0.63) MAPTMCL1KMT2APOLBSMN1; SMN2
SCHEMBL2036216 0.72 PPARG (0.72) MCL1MEN1KMT2APOLBADK
SCHEMBL14635414 0.70 ADK (0.67) MAPTMCL1MEN1KMT2APOLB
SCHEMBL2037291 0.67 HPGD (0.79) MCL1KMT2APOLBADKHPGD
SCHEMBL2333608 0.67 CYP1A2 (0.60) MAPTMCL1MEN1NPC1RAB9A
SCHEMBL6510195 0.65 MAPT (0.54) PSDMAPTMCL1MEN1NPC1
SCHEMBL2724772 0.65 CYP1A2 (0.67) MAPTMCL1MEN1NPC1RAB9A
SCHEMBL11320631 0.65 CYP1A2 (0.67) MAPTMCL1MEN1NPC1RAB9A
SCHEMBL29242 0.65 CYP1A2 (0.67) MAPTMCL1MEN1NPC1RAB9A

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-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 — — EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 — — WO disclosed
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