SCHEMBL8744274

SCHEMBL8744274

Nc1ncnc(-c2ccccc2N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GPR68 Q15743 1/20 0.45
IDO1 P14902 2/20 0.43
DCUN1D1 Q96GG9 1/20 0.42
BCL6 P41182 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ADORA2A P29274 2/20 0.41
HSD17B10 Q99714 2/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL27542615 0.81 SMN1; SMN2 (0.67) ALDH1A1IDO1SMN1; SMN2ADORA2AADORA3
SCHEMBL28228733 0.79 PI4KA (0.47) ALDH1A1L3MBTL1BCL6SMN1; SMN2HSD17B10
SCHEMBL9566504 0.79 SMN1; SMN2 (0.63) ALDH1A1L3MBTL1GPR68IDO1DCUN1D1
SCHEMBL6528572 0.77 FGFR2 (0.47) L3MBTL1BCL6SMN1; SMN2FGFR2FGFR3
SCHEMBL6565668 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1GPR68IDO1DCUN1D1
SCHEMBL29889875 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1GPR68IDO1DCUN1D1
SCHEMBL6530231 0.76 FGFR2 (0.52) L3MBTL1BCL6SMN1; SMN2FGFR2FGFR3
SCHEMBL10995283 0.75 ALDH1A1 (0.63) ALDH1A1L3MBTL1GPR68IDO1DCUN1D1
SCHEMBL29793563 0.75 ALDH1A1 (0.63) ALDH1A1L3MBTL1GPR68IDO1DCUN1D1
SCHEMBL3421908 0.75 ADORA2A (0.61) ALDH1A1BCL6SMN1; SMN2ADORA2AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753542-A1 Polyazo dyestuffs BAYER AG (DE) 1997-01-15 EP disclosed