SCHEMBL8139601

SCHEMBL8139601

O=C1CCN(c2ccc(-c3cc(C4CCCCC4)c4c([AsH2])ncnc4n3)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 7/20 0.44
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL2036779 0.89 ADK (0.58) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2038998 0.81 ADK (0.62) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8139604 0.81 ADK (0.52) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2037662 0.77 ADK (0.63) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL14636248 0.75 ADK (0.58) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2044512 0.75 ADK (0.57) ADK
SCHEMBL8194009 0.73 ADK (0.54) ADK
SCHEMBL2038896 0.71 ADK (0.65) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2036788 0.71 ADK (0.68) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8146517 0.69 ADK (0.45) ADK

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 claimed
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 claimed
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