SCHEMBL18534669

SCHEMBL18534669

CC(NC(=O)c1cn(SF)c2ncc(Br)nc12)C(C)(C)C#N

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
IRAK4 Q9NWZ3 18/20 0.32

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
SCHEMBL18534753 0.89 JAK2 (0.39) JAK2JAK1JAK3IRAK4
SCHEMBL18534778 0.88 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL18534427 0.84 JAK3 (0.34) JAK2JAK1JAK3IRAK4
SCHEMBL18535179 0.80 LMNA (0.36) IRAK4
SCHEMBL18534483 0.77 JAK2 (0.35) JAK2JAK1JAK3IRAK4
SCHEMBL1370294 0.77 JAK2 (0.39) JAK2JAK1JAK3IRAK4
SCHEMBL18534856 0.77 CNR1 (0.31)
SCHEMBL18534410 0.76 CSNK1D (0.34) IRAK4
SCHEMBL12146322 0.75 JAK3 (0.71) JAK2JAK1JAK3
SCHEMBL18534438 0.66 ALOX5AP (0.31) IRAK4

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed