SCHEMBL14723148

SCHEMBL14723148

CC(C)(C)OC(=O)NC1CN(c2cnc(C(=O)O)cn2)CC1c1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
RET P07949 3/20 0.37
DPP4 P27487 15/20 0.37
DPP7 Q9UHL4 8/20 0.37
DPP8 Q6V1X1 7/20 0.37
DPP9 Q86TI2 5/20 0.37
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL14730210 0.92 RET (0.37) CKS1BSKP1SKP2RETDPP4
SCHEMBL14723078 0.92 RET (0.37) CKS1BSKP1SKP2RETDPP4
SCHEMBL14723500 0.90 NTRK1 (0.42) CKS1BSKP1SKP2RETDPP4
SCHEMBL14730294 0.90 NTRK1 (0.42) CKS1BSKP1SKP2RETDPP4
SCHEMBL14730335 0.83 DPP4 (0.38) CKS1BSKP1SKP2RETDPP4
SCHEMBL14730278 0.82 NTRK1 (0.43) RETDPP4
SCHEMBL14722263 0.82 NTRK1 (0.43) RETDPP4
SCHEMBL5924109 0.81 DPP4 (0.43) DPP4DPP7DPP8
SCHEMBL609468 0.80 NTRK1 (0.40) RET
SCHEMBL1720753 0.80 NTRK1 (0.40) RET

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed