SCHEMBL6185709

SCHEMBL6185709

CC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c(=O)c1Nc1cc(F)cc(F)c1.CC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c(=O)c1Nc1cccc(Cl)c1.CCn1nc(-c2ccccc2)c(C=O)c(Nc2cccc(Cl)c2)c1=O.CCn1nc(C)c(C(=O)c2ccccc2)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RIPK1 Q13546 3/20 0.35
PARP1 P09874 2/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
GAA P10253 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
SCHEMBL6168608 0.83 RIPK1 (0.46) PDE4BPOLBRXFP1RIPK1PARP1
SCHEMBL6169312 0.78 PDE4B (0.65) PDE4BPARP1SMN1; SMN2TP53
SCHEMBL4058811 0.78 PDE4B (0.70) PDE4BPOLBPARP1SMN1; SMN2MAPT
SCHEMBL4706418 0.78 PDE4B (0.60) PDE4BPOLBPARP1CYP3A4CYP2C9
SCHEMBL4708521 0.78 PDE4B (0.47) PDE4BRXFP1PARP1CYP3A4CYP2C9
SCHEMBL4707672 0.78 PDE4B (0.47) PDE4BPOLBRXFP1RIPK1SMN1; SMN2
SCHEMBL4706455 0.78 RIPK1 (0.51) PDE4BPOLBRXFP1RIPK1PARP1
SCHEMBL4705746 0.77 PDE4B (0.72) PDE4BSMN1; SMN2MAPTTP53ACHE
SCHEMBL4708479 0.76 PDE4B (0.58) PDE4BPOLBPARP1SMN1; SMN2MAPT
SCHEMBL4708634 0.76 PDE4B (0.51) PDE4BRXFP1RIPK1CYP3A4CYP2C9

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-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO disclosed