SCHEMBL7986754

SCHEMBL7986754

Oc1nc(-c2ccc(F)cc2)nc2ncn(Cc3ccccc3F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MET P08581 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE5A O76074 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37

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
SCHEMBL7987222 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL7991417 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL7988749 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7973917 0.86 LMNA (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7974507 0.86 MET (0.46) ALDH1A1KDM4EMETADORA3ADORA2A
SCHEMBL7984681 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7985118 0.84 ADRB2 (0.41) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL7985410 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7984281 0.84 MET (0.52) ALDH1A1KDM4EMET
SCHEMBL7974200 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DLMNA

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed