SCHEMBL7437181

SCHEMBL7437181

FC(F)(F)c1cc(SCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
PDE7A Q13946 5/20 0.31
PDE7B Q9NP56 5/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
KCNN3 Q9UGI6 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
SCHEMBL7439761 0.86 UBE2M (0.38) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL7435968 0.85 AGTR1 (0.36) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL7439344 0.84 PDE10A (0.31) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL7439253 0.84 PDE7A (0.36) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL7443532 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7442336 0.83 KCNN3 (0.45) KCNN3
SCHEMBL7439964 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7432932 0.81 MAPT (0.36) PTGS2
SCHEMBL7444690 0.79 TAS2R14 (0.34) KCNN3
SCHEMBL7442347 0.78 DPP4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed