SCHEMBL5402846

SCHEMBL5402846

CC(=O)Nc1ccc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2csc3ccc(F)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
MAPK10 P53779 1/20 0.37
PDE4B Q07343 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SLC16A1 P53985 1/20 0.35
TDO2 P48775 1/20 0.34
SYK P43405 2/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
TRPA1 O75762 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL5415082 0.84 SLC16A1 (0.36) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5408105 0.80 SLC16A1 (0.36) SLC16A1
SCHEMBL5411056 0.80
SCHEMBL5405716 0.80 TP53 (0.44) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5402899 0.80 PDE1A (0.34) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5413292 0.79 SLC16A1 (0.33) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5407605 0.79 P2RX3 (0.38)
SCHEMBL5399540 0.77 LMNA (0.36) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5402641 0.76
SCHEMBL5411081 0.75 SMN1; SMN2 (0.41) SLC16A1PDE1APDE1BPDE1CADORA2B

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
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed