SCHEMBL7005320

SCHEMBL7005320

CCOC(=O)c1[nH]c(=O)n(-c2csc3ccccc23)c1-c1cn(Cc2cccc(CN)c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.43
TP53 P04637 1/20 0.37
CAMK2D Q13557 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 4/20 0.33
BCL2L11 O43521 2/20 0.33
BCL2 P10415 2/20 0.33
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
MAPT P10636 2/20 0.33
PRKCB P05771 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
Acetic Acid SCHEMBL7012152 0.98 F2RL3 (0.43) F2RL3TP53CAMK2DCA12CA1
SCHEMBL7005339 0.74 CAMK2D (0.55) CAMK2DPRKCBPRKCAPRKCHPRKCE
Acetic Acid SCHEMBL7007558 0.73 CAMK2D (0.53) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL7005879 0.71 PIM1 (0.48) TP53CAMK2DSIRT2MAPTPRKCB
SCHEMBL7005313 0.69 PKM (0.40) ALDH1A1MAPTPRKCBPRKCAMAT2A
SCHEMBL6974638 0.69 PRKCB (0.40) CAMK2DSIRT2PDE4APDE4BPDE4C
Acetic Acid SCHEMBL7011660 0.69 CAMK2D (0.46) TP53CAMK2DSIRT2MAPTPRKCB
Acetic Acid SCHEMBL6983601 0.68 CAMK2D (0.52) CAMK2DPRKCBPRKCAPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6981001 0.67 TPSAB1 (0.41) CAMK2DCA12CA1CA2CA9
SCHEMBL6980982 0.67 PRKACA (0.39) TP53CAMK2DSIRT2PDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP claimed
US-6337342-B1 ARYLIMIDAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-08 US claimed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed