SCHEMBL4575171

SCHEMBL4575171

Fc1cc(F)c(Oc2nc(-c3ccncc3)nc3ccsc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ MAPK1 P28482 2/20 0.42
▸ PRKCI P41743 9/20 0.41
▸ MAPT P10636 4/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL14103890 0.87 ABCG2 (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4574977 0.86 MAPK1 (0.51) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL9881240 0.80 MAPK1 (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4574905 0.79 MAPK1 (0.49) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4573992 0.77 MAPK1 (0.44) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL14104446 0.77 TRPA1 (0.41) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL14104444 0.76 PIK3CA (0.42) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL14103803 0.74 CYP1A2 (0.49) MAPK1MAPTLMNAKDM4EHPGD
SCHEMBL14103885 0.73 TRPA1 (0.38) MAPK1MAPTKDM4E
SCHEMBL14104083 0.73 L3MBTL1 (0.39) MAPK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO claimed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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