SCHEMBL6588432

SCHEMBL6588432

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.42
CDK2 P24941 1/20 0.42
CHEK1 O14757 3/20 0.41
PIM1 P11309 1/20 0.39
CAMK2D Q13557 1/20 0.39
PLK1 P53350 3/20 0.39
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDK1 Q15118 1/20 0.33
ICMT O60725 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
SCHEMBL6588981 0.95 CAMK2D (0.42) GSK3BCDK2PIM1CAMK2DPLK1
SCHEMBL6589113 0.95 CHEK1 (0.44) GSK3BCDK2CHEK1PIM1CAMK2D
Hydrochloric Acid SCHEMBL6588778 0.94 CAMK2D (0.42) GSK3BCDK2PIM1CAMK2DPLK1
Trifluoroacetic Acid SCHEMBL6590532 0.94 CDK2 (0.38) GSK3BCDK2CHEK1PIM1CAMK2D
SCHEMBL6586537 0.92 PIM1 (0.40) GSK3BCDK2PIM1CAMK2DPLK1
SCHEMBL6589065 0.91 CAMK2D (0.40) GSK3BPIM1CAMK2DPLK1HTR6
SCHEMBL6590083 0.91 PIM1 (0.39) GSK3BCDK2PIM1CAMK2DPLK1
Hydrochloric Acid SCHEMBL6589219 0.91 CAMK2D (0.39) GSK3BPIM1CAMK2DPLK1HTR6
Hydrochloric Acid SCHEMBL6598884 0.90 CAMK2D (0.42) GSK3BPIM1CAMK2DPLK1HTR6
SCHEMBL6588231 0.90 CAMK2D (0.51) GSK3BPIM1CAMK2DPLK1PDK1

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