SCHEMBL2348404

SCHEMBL2348404

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.55
AAK1 Q2M2I8 5/20 0.48
MAP4K1 Q92918 1/20 0.48
CYP2C9 P11712 1/20 0.47
STK17B O94768 2/20 0.44
MAPK1 P28482 3/20 0.44
AURKB Q96GD4 2/20 0.44
YES1 P07947 1/20 0.44
MAP3K11 Q16584 2/20 0.43
KIT P10721 1/20 0.42
DYRK1A Q13627 1/20 0.42
STK17A Q9UEE5 1/20 0.42
FGFR1 P11362 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL2342989 0.89 SYK (0.53) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2339099 0.85 SYK (0.62) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2279702 0.84 SYK (0.69) SYKCYP2C9
SCHEMBL2344137 0.83 SYK (0.65) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2343891 0.82 SYK (0.52) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2345306 0.82 SYK (0.58) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2347402 0.82 SYK (0.75) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2345444 0.81 SYK (0.62) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2345751 0.81 SYK (0.50) SYKAAK1MAP4K1CYP2C9STK17B
SCHEMBL2346603 0.80 SYK (0.59) SYKAAK1MAP4K1CYP2C9STK17B

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