SCHEMBL27720261

SCHEMBL27720261

Cc1nc(NCC2CCCO2)sc1-c1ccnc(Nc2ccc(F)c(CN)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.47
CDK4 P11802 10/20 0.47
CDK9 P50750 9/20 0.47
AURKA O14965 6/20 0.47
AURKB Q96GD4 6/20 0.47
CDK1 P06493 6/20 0.43
CDK7 P50613 5/20 0.43
CCNA2 P20248 4/20 0.43
CCNT1 O60563 4/20 0.43
CCNB1 P14635 2/20 0.43
CCNH P51946 2/20 0.43
TNK2 Q07912 4/20 0.43
WEE1 P30291 3/20 0.43
FLT3 P36888 3/20 0.43
ALK Q9UM73 2/20 0.43
PLK1 P53350 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
CHEK1 O14757 2/20 0.41
DAPK3 O43293 2/20 0.41
JAK2 O60674 2/20 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
SCHEMBL27720314 0.87 CDK2 (0.57) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27741376 0.84 CDK2 (0.59) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2284017 0.83 CDK2 (0.62) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27741378 0.83 CDK4 (0.55) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2286333 0.82 CDK2 (0.64) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27741373 0.81 CDK2 (0.51) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27720286 0.81 PAK4 (0.55) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2289127 0.81 CDK2 (0.51) CDK2CDK4CDK9AURKAAURKB
SCHEMBL27720301 0.80 CDK2 (0.49) CDK2CDK4CDK9AURKAAURKB
SCHEMBL2283561 0.80 CDK2 (0.50) CDK2CDK4CDK9AURKAAURKB

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