SCHEMBL20171653

SCHEMBL20171653

CC(C)(C)n1ccc(N)nc1=N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL10047082 0.76 LMNA (0.35) NOS3NOS2NOS1PI4KAPI4K2B
SCHEMBL22779512 0.63 LMNA (0.35) LMNA
SCHEMBL22399931 0.63 LMNA (0.35) LMNA
SCHEMBL24506834 0.61 NOS2 (0.39) NOS3NOS2NOS1ALDH1A1LMNA
SCHEMBL400899 0.61 ALDH1A1 (0.33) NOS3NOS2ALDH1A1
SCHEMBL22946518 0.61 LMNA (0.33) LMNA
SCHEMBL13592581 0.60 EGFR (0.34) NOS3NOS2NOS1PI4KAPI4K2B
SCHEMBL22521392 0.60 DHFR (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4014685 0.60 TDP1 (0.31)
SCHEMBL667242 0.60 PDE3A (0.35) ALDH1A1LMNA

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-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed