SCHEMBL7696175

SCHEMBL7696175

Brc1cccc(NNc2nc3cc4ccccc4cc3nc2-c2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.56
FBP1 P09467 1/20 0.42
SRPK1 Q96SB4 1/20 0.40
PGK1 P00558 1/20 0.39
TP53 P04637 1/20 0.38
EGFR P00533 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL6236522 0.81 ABCG2 (0.48) RPS6KB2FBP1EGFRMEN1KMT2A
SCHEMBL7695652 0.79 RPS6KB2 (0.60) RPS6KB2FBP1SRPK1PGK1TP53
SCHEMBL7697772 0.76 RPS6KB2 (0.58) RPS6KB2SRPK1TP53MEN1KMT2A
SCHEMBL7697783 0.75 RPS6KB2 (0.57) RPS6KB2PGK1EGFRMEN1KMT2A
SCHEMBL7691382 0.75 ABCG2 (0.61) RPS6KB2SRPK1EGFRMEN1KMT2A
SCHEMBL7692571 0.74 RPS6KB2 (1.00) RPS6KB2SRPK1MEN1KMT2AKDM4E
SCHEMBL7696775 0.72 RPS6KB2 (0.53) RPS6KB2TP53EGFRMEN1KMT2A
SCHEMBL7690215 0.72 RPS6KB2 (0.60) RPS6KB2SRPK1PGK1MEN1KMT2A
SCHEMBL7695570 0.72 FBP1 (0.67) FBP1EGFRABCG2ABCB1
SCHEMBL7695845 0.70 RPS6KB2 (0.57) RPS6KB2SRPK1PGK1MEN1KMT2A

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-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO claimed
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed