SCHEMBL7658467

SCHEMBL7658467

COC(=O)C(OC(=O)C(F)(F)F)n1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2cc3ccccc3cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 12/20 0.41
KDR P35968 1/20 0.41
GSK3B P49841 1/20 0.41
CNR2 P34972 3/20 0.40
PIM1 P11309 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CNR1 P21554 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL7658458 0.80 CAMK2D (0.42) CAMK2DKDRGSK3BPIM1CA12
Trifluoroacetic Acid SCHEMBL7654562 0.76 CAMK2D (0.45) CAMK2DPIM1
Acetic Acid SCHEMBL7658116 0.75 CAMK2D (0.49) CAMK2DKDRGSK3BPIM1CA12
SCHEMBL7664768 0.74 CAMK2D (0.46) CAMK2DKDRGSK3BCNR2PIM1
Trifluoroacetic Acid SCHEMBL7818314 0.73 CAMK2D (0.48) CAMK2DPIM1RPS6KB1
Trifluoroacetic Acid SCHEMBL7815291 0.72 CAMK2D (0.46) CAMK2DCNR2PIM1RPS6KB1
SCHEMBL7658866 0.71 CAMK2D (0.38) CAMK2DKDRGSK3BPIM1
SCHEMBL7659626 0.71 CAMK2D (0.43) CAMK2DKDRGSK3BPIM1
SCHEMBL7658933 0.70 PDE4B (0.46) CAMK2DKDRGSK3BCNR2
Acetic Acid SCHEMBL7665440 0.70 CAMK2D (0.51) CAMK2DKDRGSK3BPIM1RPS6KB1

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
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US claimed
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed