SCHEMBL2825329

SCHEMBL2825329

CCn1nc(C(=O)O)c(C(C)c2ccncc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXAS1 P24557 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NAMPT P43490 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
P2RX4 Q99571 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MARK3 P27448 2/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2828832 0.89 PDE4B (0.43) PDE4BRAB9ANPC1MEN1KMT2A
SCHEMBL2823459 0.85 KDM4C (0.38) PDE4BSMN1; SMN2ROCK2
SCHEMBL2828862 0.82 KDM4C (0.38) PDE4BMEN1KMT2ATBXAS1SMN1; SMN2
SCHEMBL2825199 0.81 ADRA2A (0.40) PDE4BMEN1KMT2ATRPV1ALDH1A1
SCHEMBL2828691 0.81 PDE4B (0.42) PDE4BRAB9ANPC1MEN1KMT2A
SCHEMBL2829191 0.74 PDE4B (0.39) PDE4BRAB9ANPC1MEN1KMT2A
SCHEMBL2829407 0.74 FPR2 (0.40) PDE4BMEN1KMT2ATBXAS1SMN1; SMN2
SCHEMBL2825391 0.74 KDM4C (0.40) PDE4BSMN1; SMN2
SCHEMBL2829404 0.74 PDE4B (0.39) PDE4BNPC1MEN1KMT2ATBXAS1
SCHEMBL1993517 0.73 PDE4B (0.46) PDE4BRAB9ANPC1MEN1KMT2A

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