SCHEMBL10604271

SCHEMBL10604271

CC(C)c1nc2nc(-c3ccccc3)ncc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.57
ADORA2A P29274 2/20 0.57
ADORA1 P30542 2/20 0.57
ADORA2B P29275 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HPGDS O60760 3/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL1292908 0.78 ADORA3 (0.53) ADORA3ADORA2AADORA1ALDH1A1HPGDS
SCHEMBL2885131 0.76 HPGDS (0.41) ADORA3ADORA2AADORA1LMNAHPGD
SCHEMBL9119522 0.76 CDK5 (0.46) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL889310 0.74 HSD17B10 (0.39) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL890084 0.74 HSD17B10 (0.39) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL29448112 0.71 MEN1 (0.45) ADORA3LMNAALDH1A1HPGDHPGDS
SCHEMBL22777765 0.71 MEN1 (0.45) ADORA3LMNAALDH1A1HPGDHPGDS
SCHEMBL888691 0.70 HSD17B10 (0.36) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL12810051 0.70 HSD17B10 (0.36) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL680856 0.69 CDK2 (0.55) ADORA3ADORA2AADORA1KDM4EHSD17B10

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-0181129-B1 N6-SUBSTITUTED DEOXYRIBOSE ANALOGS OF ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed
EP-0181129-A2 N6-substituted deoxyribose analogs of adenosines WARNER-LAMBERT COMPANY (US) 1986-05-14 EP disclosed