SCHEMBL7005879

SCHEMBL7005879

CCOC(=O)c1[nH]c(=O)n(-c2cn(CCCCN)c3ccccc23)c1-c1cn(C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
CAMK2D Q13557 2/20 0.48
CNR1 P21554 1/20 0.42
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 1/20 0.39
CASK O14936 1/20 0.39
RPS6KA5 O75582 1/20 0.39
CCNK O75909 1/20 0.39
STK10 O94804 1/20 0.39
PRKD3 O94806 1/20 0.39
TP53 P04637 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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 SCHEMBL7011660 0.97 CAMK2D (0.46) PIM1CAMK2DCNR1CCNT1CDK9
SCHEMBL7005313 0.82 PKM (0.40) CNR1CDK2PRKCBMAPTPRKCA
SCHEMBL6975872 0.77 CNR1 (0.44) PIM1CAMK2DCNR1CCNT1CDK9
SCHEMBL6973734 0.77 CAMK2D (0.56) PIM1CAMK2DCCNT1CDK9CCNA2
SCHEMBL7007161 0.77 CAMK2D (0.57) PIM1CAMK2DCCNT1CDK9PRKCA
Hydrochloric Acid SCHEMBL6984367 0.77 CAMK2D (0.55) PIM1CAMK2DCCNT1CDK9CCNA2
SCHEMBL6975973 0.77 CAMK2D (0.53) PIM1CAMK2DCCNT1CDK9CCNA2
SCHEMBL6979608 0.75 CAMK2D (0.35) PIM1CAMK2DCNR1MEN1GSK3B
SCHEMBL6981421 0.74 ALDH1A1 (0.42) PIM1CAMK2DCNR1MEN1CYP3A4
Trifluoroacetic Acid SCHEMBL6982808 0.74 CAMK2D (0.46) PIM1CAMK2DCCNT1CDK9CCNA2

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 4 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-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed