SCHEMBL6589113

SCHEMBL6589113

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(Cl)cc23)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.44
CAMK2D Q13557 2/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 5/20 0.37
KDM4E B2RXH2 1/20 0.36
PRKCA P17252 1/20 0.35
KMT2A Q03164 3/20 0.35
GSK3A P49840 2/20 0.35
POLB P06746 2/20 0.35
CDK2 P24941 2/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
CCNB2 O95067 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6588432 0.95 GSK3B (0.42) CHEK1CAMK2DPIM1GSK3BKDM4E
Trifluoroacetic Acid SCHEMBL6588835 0.93 CHEK1 (0.39) CHEK1CAMK2DPIM1GSK3BKDM4E
SCHEMBL6588770 0.90 KDM4E (0.41) CHEK1GSK3BKDM4EPRKCAKMT2A
Trifluoroacetic Acid SCHEMBL6590532 0.89 CDK2 (0.38) CHEK1CAMK2DPIM1GSK3BKDM4E
SCHEMBL6588981 0.89 CAMK2D (0.42) CAMK2DPIM1GSK3BKDM4EGSK3A
SCHEMBL27581663 0.89 GSK3B (0.38) CHEK1GSK3BKDM4EPRKCAKMT2A
Hydrochloric Acid SCHEMBL6588778 0.88 CAMK2D (0.42) CAMK2DPIM1GSK3BKDM4EGSK3A
SCHEMBL6588767 0.87 GSK3B (0.35) CHEK1GSK3BKDM4EPRKCAKMT2A
SCHEMBL6586537 0.86 PIM1 (0.40) CAMK2DPIM1GSK3BKDM4ECDK2
SCHEMBL6589065 0.85 CAMK2D (0.40) CAMK2DPIM1GSK3BKDM4E

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-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed