SCHEMBL6237157

SCHEMBL6237157

c1csc(-c2nc3cccnc3nc2-c2cccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.54
MAPK14 Q16539 1/20 0.49
DHFR P00374 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
ADORA2A P29274 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SRPK1 Q96SB4 1/20 0.42

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
SCHEMBL8225236 0.84 RPS6KB2 (0.51) RPS6KB2MAPK14NPC1RAB9AHSD17B10
SCHEMBL8218830 0.84 RPS6KB2 (0.51) RPS6KB2MAPK14DHFRNPC1RAB9A
SCHEMBL8381274 0.81 ADORA2A (0.45) RPS6KB2MAPK14NPC1RAB9ALMNA
SCHEMBL8381406 0.81 RPS6KB2 (0.43) RPS6KB2MAPK14NPC1RAB9AHSD17B10
SCHEMBL7918254 0.80 RPS6KB2 (0.42) RPS6KB2MAPK14NPC1RAB9AHSD17B10
SCHEMBL7908001 0.80 RPS6KB2 (0.42) RPS6KB2MAPK14DHFRNPC1RAB9A
SCHEMBL16027135 0.79 RPS6KB2 (0.74) RPS6KB2DHFRNPC1RAB9AHSD17B10
SCHEMBL31393470 0.79 RPS6KB2 (0.74) RPS6KB2DHFRNPC1RAB9AHSD17B10
SCHEMBL19066635 0.77 RPS6KB2 (0.71) RPS6KB2DHFRNPC1RAB9AHSD17B10
SCHEMBL6236262 0.77 CYP1A2 (0.56) RPS6KB2DHFRNPC1RAB9AHSD17B10

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO claimed
WO-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed