SCHEMBL3400423

SCHEMBL3400423

CC(C)C(O)c1cnc2[nH]cc(CC(C)(C)C)c2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.34
JAK1 P23458 6/20 0.34
JAK3 P52333 6/20 0.34
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL3393952 0.76 MAPK1 (0.54) MAPK1SYK
SCHEMBL3399018 0.68 MAPK1 (0.32) MAPK1SYK
SCHEMBL25099112 0.67 MAPK1 (0.30) JAK2JAK1JAK3MAPK1
SCHEMBL3398135 0.66 SMN1; SMN2 (0.39) MAPK1SYK
SCHEMBL3396297 0.66 JAK3 (0.44) JAK3
SCHEMBL18733454 0.66 JAK3 (0.52) JAK2JAK1JAK3SYK
SCHEMBL3396270 0.65 CDK8 (0.48) JAK3MAPK1SYK
SCHEMBL3395308 0.64 MAPK1 (0.34) JAK3MAPK1SYK
SCHEMBL3397956 0.64 MAPK1 (0.42) MAPK1
SCHEMBL18352331 0.64 JAK2 (0.34) JAK2JAK1JAK3MAPK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed