SCHEMBL2344786

SCHEMBL2344786

CC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(C3CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.48
JAK1 P23458 18/20 0.48
JAK3 P52333 18/20 0.48
TYK2 P29597 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CNR2 P34972 1/20 0.38

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
SCHEMBL2345350 0.83 JAK3 (0.54) JAK2JAK1JAK3TYK2
SCHEMBL1369481 0.82 JAK3 (0.64) JAK2JAK1JAK3TYK2
SCHEMBL2343606 0.78 JAK1 (0.69) JAK2JAK1JAK3TYK2
SCHEMBL2351523 0.78 SYK (0.54) JAK2JAK1JAK3TYK2
SCHEMBL2340306 0.78 ATR (0.36)
SCHEMBL2343199 0.74 JAK3 (0.64) JAK2JAK1JAK3TYK2
SCHEMBL1368539 0.74 JAK3 (0.61) JAK2JAK1JAK3TYK2
SCHEMBL1368842 0.73 JAK3 (0.62) JAK2JAK1JAK3TYK2PDE10A
SCHEMBL1368203 0.72 JAK3 (0.67) JAK2JAK1JAK3TYK2
SCHEMBL18524459 0.71 SYK (0.61) JAK2JAK1JAK3

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-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed