SCHEMBL6177875

SCHEMBL6177875

CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c(Nc2cccnc2C)c1=O.CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c(Nc2cccnc2Cl)c1=O.CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c(Nc2cnccc2C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.42
PDE4A P27815 3/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
TBXAS1 P24557 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL3027346 0.91 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3032853 0.90 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3038308 0.89 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3027663 0.82 PDE4B (0.52) PDE4BADORA2AADORA2BADORA1TBXAS1
SCHEMBL1653491 0.81 PDE4B (0.54) PDE4BABL1BCRGAAADORA2A
SCHEMBL3022322 0.81 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL1652356 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL1654199 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DADORA1
SCHEMBL3029763 0.80 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL1651225 0.80 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B

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-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO disclosed