SCHEMBL8516642

SCHEMBL8516642

NCCCn1cc(-c2nc3ccc(-c4ccccc4)cc3[nH]c2=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 18/20 0.56
RPS6KB1 P23443 1/20 0.46
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
KDR P35968 1/20 0.43
GSK3B P49841 1/20 0.43

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 SCHEMBL8516841 0.95 CAMK2D (0.52) CAMK2DRPS6KB1PIM1PRKACAPRKACG
Acetic Acid SCHEMBL8516325 0.93 CAMK2D (0.49) CAMK2DRPS6KB1PIM1KDRGSK3B
Acetic Acid SCHEMBL8365263 0.87 CAMK2D (0.43) CAMK2DRPS6KB1GSK3B
SCHEMBL7815197 0.87 CAMK2D (0.53) CAMK2DRPS6KB1PIM1PRKACAPRKACG
Acetic Acid SCHEMBL8362801 0.85 PDE4B (0.43) CAMK2DKDRGSK3B
Acetic Acid SCHEMBL7665440 0.85 CAMK2D (0.51) CAMK2DRPS6KB1PIM1PRKACAPRKACG
Acetic Acid SCHEMBL7807513 0.84 CAMK2D (0.45) CAMK2DRPS6KB1PIM1PRKACAPRKACG
Acetic Acid SCHEMBL8516812 0.84 FLT3 (0.45) CAMK2DKDRGSK3B
Acetic Acid SCHEMBL8367883 0.84 NPBWR1 (0.42) CAMK2DGSK3B
Acetic Acid SCHEMBL7815395 0.83 CAMK2D (0.51) CAMK2DRPS6KB1PIM1PRKACAPRKACG

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed