SCHEMBL5403374

SCHEMBL5403374

CC(C)Cn1c(=O)[nH]c(=O)c2c(-c3ccncc3)n(Cc3csc4ccc(Cl)cc34)nc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
TBXAS1 P24557 2/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL5411225 0.90 RIPK3 (0.37) KDM4EMAPK1ALDH1A1
SCHEMBL5399439 0.87 SLC22A12 (0.38) SLC22A12
SCHEMBL5398430 0.78 KDM4E (0.42) SMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL5405487 0.77 MEN1 (0.36) KDM4EMAPK1ALDH1A1
SCHEMBL5415082 0.75 SLC16A1 (0.36) KDM4EALDH1A1
SCHEMBL5397504 0.74 ALDH1A1 (0.36) SMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL5395357 0.73 PDE5A (0.39) SMN1; SMN2ALDH1A1
SCHEMBL5398855 0.72
SCHEMBL5396019 0.71 TBXAS1 (0.38) TBXAS1
SCHEMBL5404073 0.71

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