SCHEMBL4759339

SCHEMBL4759339

NC(=O)c1ccccc1Cc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 1/20 0.35
ATM Q13315 1/20 0.35
BCAT2 O15382 1/20 0.34
TBXAS1 P24557 1/20 0.34
AURKA O14965 2/20 0.34
RPS6KB1 P23443 2/20 0.34
AURKB Q96GD4 1/20 0.34
HTT P42858 1/20 0.33

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
Mivazerol SCHEMBL593708 0.87 PARP1 (0.39) PARP1CSNK1A1TYRO3DYRK1BALDH1A1
Mivazerol SCHEMBL8097939 0.87 PARP1 (0.39) PARP1CSNK1A1TYRO3DYRK1BALDH1A1
Mivazerol SCHEMBL8865135 0.86 PARP1 (0.38) PARP1CSNK1A1TYRO3DYRK1BALDH1A1
SCHEMBL9647633 0.83 PDE10A (0.39) PARP1KDM4EMEN1KMT2AAURKA
Hydrochloric Acid SCHEMBL10401640 0.82 PDE10A (0.38) PARP1KDM4EMEN1KMT2AAURKA
SCHEMBL9645530 0.80 CCNE2 (0.37) PARP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL9647479 0.77 P2RX7 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9518487 0.77 HMGB1 (0.48) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL29818128 0.76 PARP10 (0.48) PARP1ALDH1A1KDM4ETSHRHPGD
SCHEMBL166483 0.76 PARP10 (0.48) PARP1ALDH1A1KDM4ETSHRHPGD

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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed