SCHEMBL5753133

SCHEMBL5753133

CCn1nc(-c2ccccc2)cc(N(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL4051327 0.89 KCNJ6 (0.46) PDE4BKCNJ6KCNJ5KCNJ3ADORA1
SCHEMBL4053907 0.89 MEN1 (0.40) PDE4BKCNJ6KCNJ5KCNJ3MAPT
SCHEMBL5397108 0.87 PDE4B (0.36) PDE4BMAPTADORA1ADORA2AADORA2B
SCHEMBL4054075 0.80 ACP1 (0.50) PDE4BMAPTADORA1ADORA2AADORA2B
SCHEMBL4052347 0.80 PDE4B (0.44) PDE4BMAPTRAB9AADORA1ADORA2A
SCHEMBL4051316 0.80 MEN1 (0.41) PDE4BMAPTRAB9AADORA1ADORA2A
SCHEMBL4051810 0.79 MAPT (0.48) PDE4BMAPTKMT2A
SCHEMBL4055345 0.77 GAA (0.47) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4057455 0.77 ABCG2 (0.52) PDE4BMAPTADORA1ADORA2AADORA2B
SCHEMBL4057070 0.75 TP53 (0.47) PDE4BMAPTADORA1ADORA2AADORA2B

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-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed