SCHEMBL3396369

SCHEMBL3396369

C[S+]([O-])c1cc(-c2cnc3[nH]cc(CC(C)(C)C=O)c3n2)cc(N2CCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.33
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 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
SCHEMBL3398570 0.86 SYK (0.35) MAP4K1SYKKCNH2
SCHEMBL3399808 0.84 MAP4K1 (0.37) MAP4K1SYKKCNH2
SCHEMBL3393919 0.84 MAP4K1 (0.40) MAP4K1SYKKCNH2
SCHEMBL3396231 0.84 BTK (0.33) MAP4K1SYKKCNH2
SCHEMBL3398843 0.83 MAP4K1 (0.33) MAP4K1SYKKCNH2
SCHEMBL3398989 0.83 MAP4K1 (0.38) MAP4K1SYKKCNH2
SCHEMBL3395900 0.82 MAP4K1 (0.35) MAP4K1SYKKCNH2
SCHEMBL3399615 0.82 MAP4K1 (0.35) MAP4K1SYKKCNH2
SCHEMBL3395780 0.80 MAP4K1 (0.34) MAP4K1SYKKCNH2
SCHEMBL2273535 0.80 JAK3 (0.43) SYKKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed