SCHEMBL8128671

SCHEMBL8128671

CNCC(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.64
KDM4E B2RXH2 2/20 0.52
PPARG P37231 2/20 0.52
NR2E3 Q9Y5X4 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
POLB P06746 1/20 0.52
MCL1 Q07820 1/20 0.52
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8141803 0.87 ADK (0.72) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8136584 0.85 ADK (0.62) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8214769 0.83 ADK (0.74) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8128676 0.82 ADK (0.64) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL2033598 0.82 ADK (0.72) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8127996 0.82 ADK (0.78) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL2034201 0.82 ADK (0.69) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8143423 0.82 ADK (0.63) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL2039883 0.81 ADK (0.77) ADKKDM4EPPARGNR2E3NCOR2
SCHEMBL8139237 0.81 ADK (0.76) ADKKDM4EPPARGNR2E3NCOR2

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 4 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
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