SCHEMBL6234080

SCHEMBL6234080

Cc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.64
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NQO2 P16083 1/20 0.53
SRPK1 Q96SB4 1/20 0.49
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 3/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6236081 0.84 RPS6KB2 (0.70) RPS6KB2ALDH1A1KDM4ENQO2SRPK1
SCHEMBL15958294 0.83 RPS6KB2 (0.48) RPS6KB2ALDH1A1KDM4EL3MBTL1NQO2
SCHEMBL6237894 0.79 RPS6KB2 (0.64) RPS6KB2ALDH1A1KDM4ESRPK1MAPT
SCHEMBL19092124 0.79 RPS6KB2 (0.64) RPS6KB2ALDH1A1KDM4ESRPK1MAPT
SCHEMBL16027135 0.79 RPS6KB2 (0.74) RPS6KB2ALDH1A1KDM4EL3MBTL1SRPK1
SCHEMBL31393470 0.79 RPS6KB2 (0.74) RPS6KB2ALDH1A1KDM4EL3MBTL1SRPK1
SCHEMBL6237742 0.79 RPS6KB2 (0.69) RPS6KB2ALDH1A1KDM4ENQO2SRPK1
SCHEMBL10018547 0.79 RPS6KB2 (0.58) RPS6KB2ALDH1A1KDM4ESRPK1MAPT
SCHEMBL10050062 0.79 RPS6KB2 (0.58) RPS6KB2ALDH1A1KDM4ESRPK1MAPT
SCHEMBL7692571 0.78 RPS6KB2 (1.00) RPS6KB2ALDH1A1KDM4EL3MBTL1NQO2

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