SCHEMBL2829407

SCHEMBL2829407

CCn1nc(C(=O)O)c(Cc2ccc(Br)cc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.40
FPR1 P21462 3/20 0.40
TRPV1 Q8NER1 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE4B Q07343 1/20 0.38
PKM P14618 2/20 0.36
SORT1 Q99523 1/20 0.36
CHRNA7 P36544 1/20 0.36
LRRK2 Q5S007 2/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2828691 0.86 PDE4B (0.42) TRPV1PDE4BPKMMEN1KMT2A
SCHEMBL2829404 0.86 PDE4B (0.39) FPR2FPR1PDE4BPKMPOLB
SCHEMBL2829346 0.84 KDM4C (0.36) FPR2FPR1PDE4BSMN1; SMN2
SCHEMBL2829191 0.83 PDE4B (0.39) PDE4BPKMMEN1KMT2ATBXAS1
SCHEMBL2826523 0.82 MAPT (0.45) SORT1LRRK2MEN1KMT2ASMN1; SMN2
SCHEMBL2828384 0.80 SMN1; SMN2 (0.38) TRPV1PDE4BPOLBMEN1KMT2A
SCHEMBL2828832 0.78 PDE4B (0.43) TRPV1PDE4BPOLBMEN1KMT2A
SCHEMBL2828120 0.77 KDM4C (0.38) PDE4BMEN1KMT2ASMN1; SMN2
SCHEMBL1997905 0.75 PDE4B (0.47) FPR2FPR1TRPV1PDE4BPKM
SCHEMBL2825329 0.74 PDE4B (0.40) TRPV1PDE4BPOLBMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed