SCHEMBL22700172

SCHEMBL22700172

CN1CNc2c(N)nc(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL19864859 0.81
SCHEMBL3478591 0.77 NOS1 (0.35) NOS1NOS3NOS2
SCHEMBL22343769 0.74 ADORA1 (0.43) HRH4
SCHEMBL14580328 0.72 KDM4E (0.35)
SCHEMBL20849726 0.69 HPRT1 (0.33)
SCHEMBL21303631 0.60 NOS3 (0.32) NOS1NOS3NOS2
SCHEMBL821227 0.58
SCHEMBL10271926 0.57 KDR (0.35) NOS1NOS3NOS2
SCHEMBL21772198 0.57
SCHEMBL21383159 0.56 HPRT1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed