SCHEMBL4724438

SCHEMBL4724438

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(C)cccc3C)c(=O)c3ncccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
IMPDH2 P12268 3/20 0.33
PDE4A P27815 3/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
BACE1 P56817 1/20 0.32
IMPDH1 P20839 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP4K4 O95819 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
NAMPT P43490 3/20 0.30
CCR9 P51686 1/20 0.30

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
SCHEMBL4723604 0.91 MEN1 (0.34) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4721827 0.91 PDE4A (0.35) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4719128 0.91 L3MBTL1 (0.33) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4722829 0.90 PDE4A (0.33) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4722814 0.90 MEN1 (0.36) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4722676 0.88 PDE4A (0.32) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4723938 0.87 MEN1 (0.34) L3MBTL1LMNAPKMPDE4APDE4B
SCHEMBL4723628 0.87 MEN1 (0.36) L3MBTL1LMNAPKMPDE4APDE4B
SCHEMBL4720525 0.85 CCR9 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4719259 0.82 L3MBTL1 (0.33) L3MBTL1LMNAPKMIMPDH2JAK2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed