SCHEMBL3398846

SCHEMBL3398846

COc1cc(-c2cnc3[nH]cc(CC(C)(C)c4ccccc4)c3n2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.50
CYP2C9 P11712 1/20 0.50
MAP3K11 Q16584 4/20 0.46
PDGFRB P09619 3/20 0.42
AAK1 Q2M2I8 1/20 0.41
BRD4 O60885 3/20 0.40
KIT P10721 2/20 0.40
FYN P06241 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
TYK2 P29597 1/20 0.39
MAP4K1 Q92918 1/20 0.38
NEK2 P51955 1/20 0.38

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
SCHEMBL2362208 0.84 SYK (0.54) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL27926411 0.81 SYK (0.51) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL3395228 0.81 SYK (0.58) SYKCYP2C9MAP3K11BRD4KIT
SCHEMBL3398152 0.80 SYK (0.50) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL3396334 0.80 SYK (0.50) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL3396179 0.80 SYK (0.52) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL2275328 0.79 SYK (0.64) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL12402479 0.79 CYP2C9 (0.57) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL3399252 0.77 SYK (0.58) SYKCYP2C9MAP3K11PDGFRBAAK1
SCHEMBL2273334 0.76 SYK (0.60) SYKCYP2C9MAP3K11PDGFRBAAK1

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