SCHEMBL2342903

SCHEMBL2342903

CC(C)NC(=O)Oc1c[nH]c2ncc(C3=CCCCC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.45
CYP2C9 P11712 1/20 0.45
JAK3 P52333 14/20 0.42
JAK2 O60674 13/20 0.42
JAK1 P23458 12/20 0.42
ATR Q13535 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
SCHEMBL1371222 0.84 JAK3 (0.60) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2326040 0.77 JAK3 (0.44) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2339099 0.77 SYK (0.62) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2325947 0.76 JAK3 (0.44) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL14797115 0.75 ATR (0.45) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2343199 0.75 JAK3 (0.64) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2344083 0.75 SYK (0.49) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1369492 0.75 JAK2 (0.63) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL18524723 0.75 SYK (0.59) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL18524490 0.75 SYK (0.41) SYKCYP2C9JAK3JAK2JAK1

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