SCHEMBL14845786

SCHEMBL14845786

FC(F)(F)c1cc(CNCl)ccc1C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
RORC P51449 2/20 0.33
CLCN2 P51788 1/20 0.33
P2RX7 Q99572 3/20 0.32
PSMB5 P28074 3/20 0.32
IDO1 P14902 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CETP P11597 1/20 0.31
PTGS2 P35354 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
S1PR1 P21453 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
Hydrochloric Acid SCHEMBL249748 0.82 PDE3B (0.43) PDE3BPDE3ARORCPSMB5IDO1
SCHEMBL10232859 0.82 PDE3B (0.43) PDE3BPDE3ARORCPSMB5IDO1
SCHEMBL3902905 0.82 PDE3B (0.43) PDE3BPDE3ARORCPSMB5CETP
SCHEMBL14845785 0.81 IDH2 (0.38) PDE3BPDE3ARORC
SCHEMBL22077867 0.79 PDE3B (0.46) PDE3BPDE3ARORCPSMB5IDO1
SCHEMBL22077865 0.79 PDE3B (0.46) PDE3BPDE3ARORCPSMB5IDO1
SCHEMBL22083877 0.76 PDE3B (0.43) PDE3BPDE3ARORCPSMB5IDO1
SCHEMBL31395110 0.76 PDE3B (0.44) PDE3BPDE3ACLCN2PSMB5CETP
SCHEMBL15156704 0.76 PSMB5 (0.50) PDE3BPDE3APSMB5CETPPTGS2
SCHEMBL31395020 0.74 PDE3B (0.38) PDE3BPDE3APSMB5

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-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed