SCHEMBL6237798

SCHEMBL6237798

Oc1ccc(-c2cnc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.52
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
SMPD3 Q9NY59 1/20 0.41
SRPK1 Q96SB4 1/20 0.40
FYN P06241 1/20 0.40
MET P08581 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
DHFR P00374 1/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
ADK P55263 1/20 0.37

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
SCHEMBL6240193 0.87 MAPT (0.51) RPS6KB2MAPTSRPK1FYNRXFP1
SCHEMBL6237105 0.86 RPS6KB2 (0.49) RPS6KB2MAPTNPC1SMN1; SMN2SRPK1
SCHEMBL6236374 0.86 RPS6KB2 (0.54) RPS6KB2NPC1SMN1; SMN2SRPK1DHFR
SCHEMBL6236517 0.81 CYP2A6 (0.55) RPS6KB2FYNDYRK1ADYRK1BPDGFRB
SCHEMBL6233813 0.80 RPS6KB2 (0.43) RPS6KB2MAPTNPC1SMN1; SMN2SRPK1
SCHEMBL6256213 0.79 RPS6KB2 (0.60) RPS6KB2MAPTNPC1SMN1; SMN2SMPD3
SCHEMBL6237136 0.79 RPS6KB2 (0.44) RPS6KB2MAPTNPC1SMN1; SMN2PDGFRB
SCHEMBL6240919 0.78 RPS6KB2 (0.44) RPS6KB2MAPTNPC1SMN1; SMN2PDGFRB
SCHEMBL6233946 0.77 DPP4 (0.50) RPS6KB2SRPK1DHFRPDGFRBPDGFRA
SCHEMBL6239563 0.76 RPS6KB2 (0.53) RPS6KB2MAPTNPC1SMN1; SMN2SRPK1

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