SCHEMBL7045348

SCHEMBL7045348

NC(=O)c1cccc2ncc(-c3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.69
PARP2 Q9UGN5 1/20 0.65
EIF4E P06730 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 1/20 0.43
KIF20B Q96Q89 1/20 0.43
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42

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
SCHEMBL7046611 0.90 PARP1 (0.75) PARP1PARP2EIF4EMAPTKIF20B
SCHEMBL7044881 0.88 PARP1 (0.55) PARP1PARP2EIF4EMKNK1MKNK2
SCHEMBL424209 0.86 PARP1 (0.81) PARP1PARP2
SCHEMBL31602072 0.86 PARP1 (0.81) PARP1PARP2
SCHEMBL7046986 0.84 PARP1 (0.70) PARP1PARP2
SCHEMBL7112515 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL7111338 0.81 PARP1 (0.80) PARP1PARP2
SCHEMBL7113559 0.81 PARP1 (0.67) PARP1PARP2AURKARPS6KB1
SCHEMBL7045309 0.81 PARP1 (0.78) PARP1PARP2AURKARPS6KB1
SCHEMBL7042977 0.81 PARP1 (0.78) PARP1PARP2

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-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 WO claimed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 WO disclosed