SCHEMBL2343199

SCHEMBL2343199

CC(C)NC(=O)Oc1c[nH]c2ncc(C3CCCCC3)nc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.64
JAK2 O60674 18/20 0.64
JAK1 P23458 18/20 0.64
CYP2C9 P11712 1/20 0.40
SYK P43405 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL2343606 0.84 JAK1 (0.69) JAK3JAK2JAK1TYK2
SCHEMBL1370458 0.83 JAK2 (0.91) JAK3JAK2JAK1CYP2C9SYK
SCHEMBL2326040 0.80 JAK3 (0.44) JAK3JAK2JAK1CYP2C9SYK
SCHEMBL2345350 0.80 JAK3 (0.54) JAK3JAK2JAK1SYKTYK2
SCHEMBL2336504 0.79 JAK3 (0.56) JAK3JAK2JAK1SYK
SCHEMBL2325947 0.79 JAK3 (0.44) JAK3JAK2JAK1CYP2C9SYK
SCHEMBL1368770 0.78 JAK1 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL2326869 0.76 JAK3 (0.41) JAK3JAK2JAK1CYP2C9SYK
SCHEMBL2342903 0.75 SYK (0.45) JAK3JAK2JAK1CYP2C9SYK
SCHEMBL2344786 0.74 JAK2 (0.48) JAK3JAK2JAK1TYK2

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