SCHEMBL8207033

SCHEMBL8207033

Nc1ncnc2nc(-c3ccc(NCc4cccnc4)nc3)cc(-c3cccc(Br)c3)c12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.68
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
BLM P54132 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EGFR P00533 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8147564 0.84 ADK (0.68) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL8207402 0.81 ADK (1.00) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL8138291 0.78 ADK (0.57) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL8196795 0.78 ADK (0.63) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL8138288 0.78 ADK (0.58) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL2038471 0.76 ADK (0.72) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL2032548 0.76 ADK (0.72) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL8127996 0.75 ADK (0.78) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL2049243 0.75 ADK (0.62) ADKKDM4EALDH1A1HPGDMEN1
SCHEMBL2039883 0.74 ADK (0.77) ADKKDM4EALDH1A1HPGDMEN1

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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed