SCHEMBL3398130

SCHEMBL3398130

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
CYP2C9 P11712 1/20 0.51
MAP3K11 Q16584 6/20 0.44
PDGFRB P09619 6/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
TYK2 P29597 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
FYN P06241 1/20 0.37
BRD4 O60885 1/20 0.37
LRRK2 Q5S007 1/20 0.37
NEK2 P51955 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
SCHEMBL3399056 0.85 SYK (0.54) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL3396681 0.84 SYK (0.57) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL2345973 0.84 SYK (0.55) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL3399078 0.78 SYK (0.60) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL3396342 0.78 ATR (0.36) JAK2JAK3
SCHEMBL2344596 0.77 SYK (0.56) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL27801766 0.75 SYK (0.56) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL2343235 0.75 SYK (0.49) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL12402479 0.75 CYP2C9 (0.57) SYKCYP2C9MAP3K11PDGFRBJAK2
SCHEMBL2278290 0.75 SYK (0.69) SYKCYP2C9MAP3K11PDGFRBJAK2

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