SCHEMBL6234340

SCHEMBL6234340

O=C(O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 8/20 0.53
SRPK1 Q96SB4 1/20 0.53
KDM4E B2RXH2 5/20 0.50
DHFR P00374 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41

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
SCHEMBL6238757 0.75 RPS6KB2 (0.79) RPS6KB2SRPK1KDM4EMEN1KMT2A
SCHEMBL6234452 0.74 KDM4E (0.54) RPS6KB2SRPK1KDM4EDHFRMEN1
SCHEMBL2972148 0.70 KDM4E (0.63) KDM4EMEN1KMT2ARXFP1PRNP
SCHEMBL6237157 0.70 RPS6KB2 (0.54) RPS6KB2SRPK1KDM4EDHFRALDH1A1
SCHEMBL31060401 0.70 RPS6KB2 (1.00) RPS6KB2SRPK1KDM4EMEN1KMT2A
SCHEMBL16027135 0.69 RPS6KB2 (0.74) RPS6KB2SRPK1KDM4EDHFRMEN1
SCHEMBL31393470 0.69 RPS6KB2 (0.74) RPS6KB2SRPK1KDM4EDHFRMEN1
SCHEMBL21044590 0.68 KDM4E (0.58) RPS6KB2SRPK1KDM4EMEN1KMT2A
SCHEMBL19066635 0.68 RPS6KB2 (0.71) RPS6KB2SRPK1KDM4EDHFRMEN1
SCHEMBL6233558 0.68 RPS6KB2 (0.51) RPS6KB2SRPK1KDM4EDHFRMEN1

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