SCHEMBL7850355

SCHEMBL7850355

CC(=O)Oc1nc2cc3[nH]c(=O)c(-c4cn(CCCN)c5ccccc45)nc3cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 16/20 0.44
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.42
KDR P35968 1/20 0.42
GSK3B P49841 1/20 0.42
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41

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
SCHEMBL7662871 0.90 CAMK2D (0.40) CAMK2DGSK3B
SCHEMBL7656458 0.88 PDE4B (0.40) KDRGSK3B
SCHEMBL7837818 0.87 EGLN1 (0.36) CAMK2D
SCHEMBL7657901 0.87 CHEK1 (0.37) CAMK2DKDR
SCHEMBL7661638 0.87 CAMK2D (0.33) CAMK2DPIM1RPS6KB1GSK3B
SCHEMBL7662846 0.86 CA12 (0.39) KDR
SCHEMBL7657012 0.86 MAPT (0.36) CAMK2D
SCHEMBL7656952 0.86 BDKRB2 (0.34) CAMK2DPIM1RPS6KB1KDRGSK3B
Acetic Acid SCHEMBL7660858 0.86 CAMK2D (0.46) CAMK2DPIM1RPS6KB1KDRGSK3B
Acetic Acid SCHEMBL7665440 0.86 CAMK2D (0.51) CAMK2DPIM1RPS6KB1KDRGSK3B

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-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