SCHEMBL5405487

SCHEMBL5405487

CC(C)Cn1c(=O)[nH]c(=O)c2c(-c3nccn3C)n(Cc3csc4ccc(F)cc34)nc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL5399439 0.91 SLC22A12 (0.38)
SCHEMBL5408105 0.87 SLC16A1 (0.36)
SCHEMBL5411225 0.87 RIPK3 (0.37) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL5403374 0.77 SLC22A12 (0.38) KDM4EALDH1A1MAPK1
SCHEMBL5396019 0.76 TBXAS1 (0.38)
SCHEMBL5397504 0.76 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL5398848 0.76 PDE1A (0.37)
SCHEMBL5413292 0.75 SLC16A1 (0.33)
SCHEMBL5415082 0.74 SLC16A1 (0.36) KDM4EALDH1A1
SCHEMBL5402899 0.74 PDE1A (0.34)

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