SCHEMBL6234475

SCHEMBL6234475

Cc1cccc2nc(-c3cccs3)c(-c3cccs3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.53
GAA P10253 3/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
RAB9A P51151 5/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
DHFR P00374 1/20 0.46
NPC1 O15118 4/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL2860819 0.80 DHFR (0.54) RPS6KB2GAARAB9AMAPTDHFR
SCHEMBL6232905 0.80 RPS6KB2 (0.65) RPS6KB2GAARAB9AMAPTDHFR
SCHEMBL6234491 0.80 RPS6KB2 (0.68) RPS6KB2RAB9AMAPTDHFRNPC1
SCHEMBL6236081 0.79 RPS6KB2 (0.70) RPS6KB2RAB9AMAPTNPC1HSD17B10
SCHEMBL16027135 0.78 RPS6KB2 (0.74) RPS6KB2GAARAB9AMAPTMAPK1
SCHEMBL31393470 0.78 RPS6KB2 (0.74) RPS6KB2GAARAB9AMAPTMAPK1
SCHEMBL19066635 0.76 RPS6KB2 (0.71) RPS6KB2GAARAB9AMAPTMAPK1
Bromide SCHEMBL19066634 0.74 RPS6KB2 (0.69) RPS6KB2GAARAB9AMAPTMAPK1
SCHEMBL2858919 0.74 MEN1 (0.61) RPS6KB2RAB9AMAPTDHFRNPC1
SCHEMBL16519335 0.74 RPS6KB2 (0.58) RPS6KB2GAARAB9AMAPTNPC1

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