SCHEMBL3977258

SCHEMBL3977258

O=c1[nH]c2cc(-c3c(F)cncc3F)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3Cl)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3F)c(-c3ccccc3F)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK3 P49761 1/20 0.35
PIM1 P11309 2/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
WNT1 P04628 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PDE2A O00408 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL995256 0.92 IDO1 (0.46) IDO1PDE3BPDE3AADORA2AADORA2B
SCHEMBL995132 0.89 PDE3B (0.44) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL995648 0.87 PDE3B (0.43) PDE3BPDE3AADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL994782 0.86 PDE3B (0.42) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3792280 0.81 PDE3B (0.49) IDO1PDE3BPDE3AADORA2AADORA2B
SCHEMBL12950973 0.76 ADORA2A (0.40) ADORA2AADORA2BADORA1CLK2DYRK1A
SCHEMBL3799092 0.76 PDE3B (0.55) IDO1PDE3BPDE3AADORA2AADORA2B
SCHEMBL3789858 0.76 PDE3B (0.59) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL20675714 0.76 IDO1 (0.44) IDO1PDE3BPDE3AADORA2AADORA2B
SCHEMBL3796017 0.75 PDE3B (0.46) IDO1PDE3BPDE3AADORA2AADORA2B

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-2125804-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZOÝ4,5-B¨PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-02 EP claimed
WO-2008080461-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-10 WO claimed