SCHEMBL6664629

SCHEMBL6664629

O=c1c2[nH]cnc2n(-c2ccccc2)c(=O)n1Cc1ccncc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.86
PDE4B Q07343 10/20 0.86
PDE4C Q08493 10/20 0.86
PDE4D Q08499 10/20 0.86
KMT2A Q03164 3/20 0.86
POLB P06746 2/20 0.73
MEN1 O00255 1/20 0.68
ADORA3 P0DMS8 1/20 0.61
ADORA2B P29275 1/20 0.61
KDM4E B2RXH2 1/20 0.59

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 SCHEMBL6660919 0.99 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6662589 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6659507 0.87 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7421512 0.86 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8179807 0.85 KMT2A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7420809 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6665761 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7415138 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8168741 0.82 KDM4E (0.82) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8690835 0.82 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257552-B1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA SA (FR) 2004-08-18 EP claimed
EP-1257552-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS Aventis Pharma S.A. (FR) 2002-11-20 EP claimed
WO-2001060824-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2001-08-23 WO claimed
EP-1257552-B1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA SA (FR) 2004-08-18 EP disclosed
EP-1257552-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS Aventis Pharma S.A. (FR) 2002-11-20 EP disclosed
WO-2001060824-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2001-08-23 WO disclosed