SCHEMBL7656952

SCHEMBL7656952

CC(=O)Oc1nc2cc3[nH]c(=O)c(-c4cn(CCCN)c5ccc(N(Cc6ccccc6)Cc6ccccc6)cc45)nc3cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.34
CAMK2D Q13557 13/20 0.33
PIM1 P11309 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TSSK1B Q9BXA7 1/20 0.32
KDR P35968 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31

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 SCHEMBL7656941 0.89 BDKRB2 (0.35) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
Acetic Acid SCHEMBL7657331 0.89 CAMK2D (0.38) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
Acetic Acid SCHEMBL7652448 0.88 CAMK2D (0.39) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
Acetic Acid SCHEMBL7657858 0.88 TSSK1B (0.37) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
Acetic Acid SCHEMBL7658173 0.87 QPCT (0.38) BDKRB2CAMK2DPIM1RPS6KB1PRKACA
Acetic Acid SCHEMBL7660674 0.87 CAMK2D (0.35) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
SCHEMBL7658179 0.87 CAMK2D (0.33) BDKRB2CAMK2DPIM1RPS6KB1TSSK1B
SCHEMBL7657901 0.86 CHEK1 (0.37) CAMK2DKDR
SCHEMBL7850355 0.86 CAMK2D (0.44) CAMK2DPIM1RPS6KB1KDRGSK3B
Acetic Acid SCHEMBL7663715 0.86 BDKRB2 (0.34) BDKRB2CAMK2DPIM1RPS6KB1MAPT

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 3 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 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