SCHEMBL27488551

SCHEMBL27488551

C1=Cc2cc(Sc3ncnc4nc[nH]c34)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.55
DBF4 Q9UBU7 12/20 0.55
G6PD P11413 1/20 0.46
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PAK1 Q13153 2/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL27470043 0.79 CDC7 (0.53) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL7834057 0.79 CDC7 (0.59) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL27487825 0.73 AKT2 (0.38) CDC7DBF4HSD17B10TP53LMNA
SCHEMBL31060605 0.72 CDC7 (0.73) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL7832613 0.71 CDC7 (0.53) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL796398 0.71 CDC7 (0.72) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL27739109 0.69 CDC7 (1.00) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL7832610 0.68 CDC7 (0.54) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL31606731 0.65 G6PD (1.00) CDC7DBF4G6PDHSD17B10TP53
SCHEMBL2888994 0.65 G6PD (1.00) CDC7DBF4G6PDHSD17B10TP53

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
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN claimed
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN disclosed