SCHEMBL6829247

SCHEMBL6829247

OC[C@H](O)COc1cccc(Nc2ncc(Br)c(Nc3ccc(F)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.59
CDK2 P24941 2/20 0.59
SYK P43405 13/20 0.53
CDK1 P06493 2/20 0.51
IGF1R P08069 2/20 0.49
ITK Q08881 2/20 0.49
EGFR P00533 1/20 0.49
AURKA O14965 2/20 0.48
GSK3B P49841 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
DCLK1 O15075 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47

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
SCHEMBL6829254 1.00 CDK4 (0.59) CDK4CDK2SYKCDK1IGF1R
SCHEMBL6829794 0.91 CDK2 (0.64) CDK4CDK2SYKCDK1IGF1R
SCHEMBL6826387 0.91 CDK2 (0.64) CDK4CDK2SYKCDK1IGF1R
SCHEMBL6829108 0.91 CDK2 (0.64) CDK4CDK2SYKCDK1IGF1R
SCHEMBL6829175 0.79 SYK (0.83) SYKCDK1IGF1RAURKAGSK3B
SCHEMBL656179 0.78 SYK (0.69) CDK4SYKITKEGFRAURKA
SCHEMBL6643046 0.77 CDK4 (0.57) CDK4CDK2SYKIGF1REGFR
SCHEMBL6830002 0.76 CDK1 (0.48) CDK4CDK2SYKCDK1IGF1R
SCHEMBL6829996 0.76 CDK1 (0.48) CDK4CDK2SYKCDK1IGF1R
SCHEMBL29722547 0.76 EGFR (0.78) ITKEGFRJAK2LYNJAK3

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
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed