SCHEMBL7208967

SCHEMBL7208967

CC(C)Nc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
MAOB P27338 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
PSMB8 P28062 1/20 0.51
COASY Q13057 1/20 0.50
NR4A2 P43354 2/20 0.46
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
LCK P06239 6/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 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
SCHEMBL7045403 0.81 CSNK2A2 (0.41) ADORA1MAOBADORA2AADORA2BCOASY
SCHEMBL21855798 0.78 ADORA1 (0.56) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL7208992 0.77 HTT (0.56) ADORA1COASYNR4A2CSNK2A2CSNK2B
SCHEMBL1272228 0.75 PSMB8 (0.51) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL7209326 0.74 RHEB (0.44) COASYNR4A2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7114594 0.73 CSNK2A2 (0.41) COASYNR4A2CSNK2A2CSNK2BCSNK2A1
SCHEMBL11850373 0.73 ADORA2A (0.65) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL11989038 0.73 ALDH1A1 (0.61) KDM4EALDH1A1GAA
SCHEMBL38664296 0.72 PARP1 (0.60) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL20252448 0.72 PSMB8 (0.49) ADORA1MAOBADORA2AADORA2BPSMB8

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
US-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 US disclosed
US-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 US disclosed