SCHEMBL5415082

SCHEMBL5415082

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3csc4ccc(F)cc34)nc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5395357 0.88 PDE5A (0.39) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5408105 0.87 SLC16A1 (0.36) SLC16A1
SCHEMBL5411056 0.87
SCHEMBL5402899 0.86 PDE1A (0.34) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5413292 0.86 SLC16A1 (0.33) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5411225 0.85 RIPK3 (0.37) RIPK3KDM4EALDH1A1HPGD
SCHEMBL5402846 0.84 MAPK14 (0.37) SLC16A1PDE1APDE1BPDE1C
SCHEMBL5411081 0.83 SMN1; SMN2 (0.41) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5402794 0.82 PDE1B (0.41) RIPK3PDE1APDE1BPDE1CKDM4E
SCHEMBL5402641 0.81

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