SCHEMBL27720301

SCHEMBL27720301

COc1ccc(Nc2nccc(-c3sc(NCC4CCCO4)nc3C)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.49
CDK9 P50750 8/20 0.49
CDK4 P11802 8/20 0.49
AURKA O14965 7/20 0.49
AURKB Q96GD4 7/20 0.49
CDK1 P06493 5/20 0.49
CDK7 P50613 5/20 0.49
FLT3 P36888 3/20 0.44
WEE1 P30291 2/20 0.44
ALK Q9UM73 2/20 0.44
CCNA2 P20248 4/20 0.44
PLK1 P53350 1/20 0.44
TNK2 Q07912 2/20 0.42
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 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
SCHEMBL27720314 0.87 CDK2 (0.57) CDK2CDK9CDK4AURKAAURKB
SCHEMBL27720286 0.86 PAK4 (0.55) CDK2CDK9CDK4AURKAAURKB
SCHEMBL2284017 0.85 CDK2 (0.62) CDK2CDK9CDK4AURKAAURKB
SCHEMBL27741378 0.85 CDK4 (0.55) CDK2CDK9CDK4AURKAAURKB
SCHEMBL2289127 0.83 CDK2 (0.51) CDK2CDK9CDK4AURKAAURKB
SCHEMBL5621065 0.82 CDK2 (0.69) CDK2CDK9CDK4AURKAAURKB
SCHEMBL27741376 0.81 CDK2 (0.59) CDK2CDK9CDK4AURKAAURKB
SCHEMBL2286333 0.81 CDK2 (0.64) CDK2CDK9CDK4AURKAAURKB
SCHEMBL27741373 0.80 CDK2 (0.51) CDK2CDK9CDK4AURKAAURKB
SCHEMBL27720261 0.80 CDK2 (0.47) CDK2CDK9CDK4AURKAAURKB

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
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN disclosed