SCHEMBL11031347

SCHEMBL11031347

CC(O)(C(=O)c1c(N)ccc(C#N)c1C#N)C(F)(F)F.CC(O)(C(=O)c1c(N)ccc([N+](=O)[O-])c1Cl)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.36
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
VCAM1 P19320 1/20 0.35
ABCC9 O60706 4/20 0.33
ABCC8 Q09428 4/20 0.33
KCNJ11 Q14654 4/20 0.33
KCNJ8 Q15842 4/20 0.33

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
SCHEMBL10975836 0.87 PDK1 (0.43) ARPDK1PDK2PDK3PDK4
SCHEMBL10975698 0.85 PDK1 (0.43) ARPDK1PDK2PDK3PDK4
SCHEMBL10973969 0.76 AR (0.46) ARPDK1PDK2PDK3PDK4
SCHEMBL8519255 0.74 AR (0.36) AR
SCHEMBL8519767 0.72 AR (0.38) ARPDK1PDK2PDK3PDK4
SCHEMBL10975133 0.72 AR (0.47) ARPDK1PDK2PDK3PDK4
SCHEMBL10974586 0.70 PDK1 (0.44) PDK1PDK2PDK3PDK4
SCHEMBL10984328 0.70 AR (0.34) ARPDK1PDK2PDK3PDK4
SCHEMBL10974442 0.69 AR (0.32) ARPDK1PDK2PDK3PDK4
SCHEMBL8519615 0.67 KDM4E (0.36) AR

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-0002892-B1 AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-06 EP claimed