SCHEMBL7658124

SCHEMBL7658124

CC(=O)Oc1nc2cc3[nH]c(=O)c(-c4cn(Cc5cccc(CN)c5)c5ccccc45)nc3cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
MAPT P10636 1/20 0.37
KDR P35968 2/20 0.36
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
F2RL3 Q96RI0 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL7662846 0.95 CA12 (0.39) CA12CA1CA2CA9PDE4A
SCHEMBL7665422 0.87 TP53 (0.43) MAPTPOLBTP53
Acetic Acid SCHEMBL7658112 0.87 PDE4A (0.41) CA12CA1CA2CA9PDE4A
Acetic Acid SCHEMBL7657913 0.87 PDE4A (0.42) CA12CA1CA2CA9PDE4A
Acetic Acid SCHEMBL7662052 0.86 PDE4A (0.40) CA12CA1CA2CA9PDE4A
Acetic Acid SCHEMBL7666298 0.86 PDE4A (0.40) CA12CA1CA2CA9PDE4A
SCHEMBL7662310 0.85 IDO1 (0.36) CA12CA1CA2CA9PDE4A
SCHEMBL7850355 0.85 CAMK2D (0.44) KDR
Acetic Acid SCHEMBL7807324 0.85 IDO1 (0.43) CA12CA1CA2CA9PDE4A
Acetic Acid SCHEMBL7662305 0.85 PDE4A (0.39) CA12CA1CA2CA9PDE4A

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