SCHEMBL2347402

SCHEMBL2347402

COc1ccc(-c2cnc3[nH]cc(OC(=O)NC(C)CO)c3n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.75
CYP2C9 P11712 1/20 0.51
AAK1 Q2M2I8 4/20 0.46
MAP4K1 Q92918 1/20 0.45
MAP3K11 Q16584 3/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
STK17B O94768 2/20 0.40
STK17A Q9UEE5 1/20 0.40
DYRK1A Q13627 2/20 0.40
KIT P10721 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2345444 0.91 SYK (0.62) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2344137 0.91 SYK (0.65) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2339099 0.90 SYK (0.62) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2345306 0.86 SYK (0.58) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2272089 0.85 SYK (1.00) SYKCYP2C9AAK1MAP4K1JAK2
SCHEMBL2348404 0.82 SYK (0.55) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2343792 0.82 SYK (0.62) SYKCYP2C9MAP3K11JAK2JAK1
SCHEMBL2346603 0.81 SYK (0.59) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2342989 0.80 SYK (0.53) SYKCYP2C9AAK1MAP4K1MAP3K11
SCHEMBL2343891 0.79 SYK (0.52) SYKCYP2C9AAK1MAP4K1MAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed