SCHEMBL2325947

SCHEMBL2325947

CC(C)NC(=O)Oc1c[nH]c2ncc(C(C)C)nc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.44
JAK2 O60674 9/20 0.44
JAK1 P23458 9/20 0.44
SYK P43405 2/20 0.42
CYP2C9 P11712 1/20 0.42
NCEH1 Q6PIU2 1/20 0.37

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
SCHEMBL2326040 0.86 JAK3 (0.44) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2326869 0.81 JAK3 (0.41) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL650183 0.80 JAK3 (0.65) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2343199 0.79 JAK3 (0.64) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2344083 0.76 SYK (0.49) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2339099 0.76 SYK (0.62) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2342903 0.76 SYK (0.45) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2336504 0.76 JAK3 (0.56) JAK3JAK2JAK1SYK
SCHEMBL2344042 0.75 SYK (0.52) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2346514 0.74 SYK (0.49) JAK3JAK2JAK1SYKCYP2C9

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-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed