SCHEMBL3398379

SCHEMBL3398379

COc1ccc(-c2cnc3[nH]cc(CC(C)(C)C(C)=O)c3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
AAK1 Q2M2I8 7/20 0.48
MAP4K1 Q92918 1/20 0.47
CYP2C9 P11712 1/20 0.46
KIT P10721 4/20 0.44
DYRK1A Q13627 1/20 0.44
PIK3CA P42336 2/20 0.43
NTRK1 P04629 1/20 0.43
MAP3K11 Q16584 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL3395228 0.90 SYK (0.58) SYKCYP2C9KITMAP3K11
SCHEMBL3399171 0.82 SYK (0.61) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL3399365 0.81 SYK (0.60) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL2278062 0.79 SYK (0.66) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL2277395 0.78 SYK (0.65) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL2282760 0.77 SYK (0.69) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL2276549 0.77 SYK (0.69) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL2279702 0.77 SYK (0.69) SYKCYP2C9
SCHEMBL2348404 0.76 SYK (0.55) SYKAAK1MAP4K1CYP2C9KIT
SCHEMBL3396602 0.76 PRKCI (0.39) SYKMAP4K1KITMAPK1

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