SCHEMBL6232905

SCHEMBL6232905

Oc1cccc2nc(-c3cccs3)c(-c3cccs3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.65
ACHE P22303 1/20 0.55
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DHFR P00374 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
SRPK1 Q96SB4 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 4/20 0.44
HSD17B10 Q99714 3/20 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
NQO2 P16083 1/20 0.44
KDM4E B2RXH2 3/20 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) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL6234475 0.80 RPS6KB2 (0.53) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL31393470 0.78 RPS6KB2 (0.74) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL16027135 0.78 RPS6KB2 (0.74) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL6234491 0.76 RPS6KB2 (0.68) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL19066635 0.76 RPS6KB2 (0.71) RPS6KB2RAB9AMAPTALDH1A1KMT2A
Bromide SCHEMBL19066634 0.74 RPS6KB2 (0.69) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL2858919 0.74 MEN1 (0.61) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL31265460 0.74 RPS6KB2 (0.61) RPS6KB2RAB9AMAPTALDH1A1KMT2A
SCHEMBL578071 0.74 RPS6KB2 (0.61) RPS6KB2RAB9AMAPTALDH1A1KMT2A

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