SCHEMBL6972512

SCHEMBL6972512

CCC1CC(=O)N(Cc2ccc(NC(=O)c3c[nH]cn3)cc2)N=C1c1ccc(OC(F)(F)F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.40
PDE4B Q07343 13/20 0.40
PDE4A P27815 11/20 0.40
PDE4C Q08493 11/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
AXL P30530 1/20 0.37
ABL1 P00519 1/20 0.36
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL6678430 0.97 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6678661 0.93 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6680575 0.92 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6677634 0.91 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6675568 0.90 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6675950 0.90 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6676273 0.90 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6680280 0.90 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6678304 0.89 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL6837633 0.88 SMN1; SMN2 (0.45) PDE4DPDE4BPDE4APDE4CPDE3B

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
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed