SCHEMBL4723604

SCHEMBL4723604

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(Br)cccc3Br)c(=O)c3ncccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
IMPDH2 P12268 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
IMPDH1 P20839 1/20 0.31
MAP4K4 O95819 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
GAA P10253 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
SCHEMBL4724438 0.91 L3MBTL1 (0.34) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4719128 0.89 L3MBTL1 (0.33) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4721827 0.89 PDE4A (0.35) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4723628 0.89 MEN1 (0.36) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4722829 0.88 PDE4A (0.33) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4722814 0.88 MEN1 (0.36) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4722676 0.87 PDE4A (0.32) L3MBTL1LMNAPKMIMPDH2PDE4A
SCHEMBL4723938 0.85 MEN1 (0.34) MEN1KMT2AL3MBTL1LMNAPKM
SCHEMBL4723485 0.84 MEN1 (0.39) MEN1KMT2AL3MBTL1IMPDH2PDE4A
SCHEMBL4720525 0.83 CCR9 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B

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