SCHEMBL6093534

SCHEMBL6093534

CC1COC(=O)N1c1nccc(-c2ccnc(Nc3cccc(F)c3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.47
CDK4 P11802 2/20 0.47
IDH1 O75874 6/20 0.44
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
EPHB4 P54760 1/20 0.40
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 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
SCHEMBL6096360 0.86 SMG1 (0.49) CDK2CDK4IDH1CDC7CDK19
SCHEMBL6094300 0.75 SMG1 (0.61) CDK2CDK4CCNA2CDK9CDK5
SCHEMBL6095641 0.75 SMG1 (0.61) CDK2CDK4CCNA2CDK9CDK5
SCHEMBL6095791 0.75 SMG1 (0.61) CDK2CDK4CCNA2CDK9CDK5
SCHEMBL6095910 0.75 SMG1 (0.63) CDK2CDK4IDH1CLK2DYRK1A
SCHEMBL2282503 0.73 CDK2 (0.61) CDK2CDK4CCNA2CCNA1GSK3B
SCHEMBL2278872 0.73 CDK2 (0.61) CDK2CDK4CDC7CCNA2CCNA1
SCHEMBL2287024 0.72 CDK2 (0.59) CDK2CDK4CDC7CCNA2EPHB4
SCHEMBL2282024 0.72 CDK2 (0.56) CDK2CDK4CDC7PIK3CAPIK3CG
SCHEMBL2288845 0.71 CDK2 (0.57) CDK2CDK4CDC7EPHB4CLK2

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
US-7074787-B2 Microbiocidal N-phenyl-N-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-07-11 US disclosed