SCHEMBL4944370

SCHEMBL4944370

Cc1cc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)c2ncc(C(N)=O)c(Nc3ccc4ncn(C)c4c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
CSF1R P07333 2/20 0.34
SYK P43405 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL1276146 0.90 PDE4B (0.42) PDE4BSMN1; SMN2NPC1TP53RAB9A
SCHEMBL4949413 0.85 PDE4B (0.52) PDE4BSMN1; SMN2PKMALDH1A1
SCHEMBL4948891 0.84 PDE4B (0.52) PDE4BCSF1RSYKALDH1A1MAPT
SCHEMBL4949429 0.79 PDE4B (0.50) PDE4BSMN1; SMN2NPC1RAB9APKM
SCHEMBL13593041 0.77 PDE4B (0.48) PDE4BCSF1RSYK
SCHEMBL2478982 0.76 PDE4B (0.45) PDE4BCSF1RSYK
SCHEMBL2479653 0.75 PDE4B (0.60) PDE4BSMN1; SMN2PKMALDH1A1
SCHEMBL2501627 0.74 PDE4B (0.63) PDE4BCSF1RSYKALDH1A1
SCHEMBL4948734 0.73 PDE4B (0.54) PDE4B
SCHEMBL4952539 0.72 PDE4B (0.59) PDE4BCSF1R

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-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed