SCHEMBL20171935

SCHEMBL20171935

CC(C)(C)Nc1nc(N2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
CHEK1 O14757 8/20 0.43
PDPK1 O15530 1/20 0.41
PAK1 Q13153 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.40
TTK P33981 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.40
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
STAT3 P40763 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL20171924 0.88 LMNA (0.50) MAPK1LMNANPSR1HTTSMN1; SMN2
SCHEMBL16211714 0.81 CNR2 (0.54) LRRK2
SCHEMBL14071958 0.81 MAP2K7 (0.45) MAPK1CHEK1PDPK1PAK1LMNA
SCHEMBL8826341 0.78 IKBKB (0.52) MAPK1CHEK1PDPK1PAK1LRRK2
SCHEMBL30253959 0.78 CHEK1 (0.44) MAPK1CHEK1PDPK1PAK1LRRK2
SCHEMBL336113 0.78 CHEK1 (0.44) MAPK1CHEK1PDPK1PAK1LRRK2
SCHEMBL19414424 0.78 CHEK1 (0.44) MAPK1CHEK1PDPK1PAK1STAT3
SCHEMBL16212037 0.78 CNR2 (0.56)
SCHEMBL20171906 0.78 CNR2 (0.44) MAPK1CHEK1PDPK1PAK1LRRK2
SCHEMBL29804858 0.74 CHEK1 (0.60) MAPK1CHEK1PDPK1PAK1LRRK2

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-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed