SCHEMBL20903440

SCHEMBL20903440

CC(OC1NNC(C(=O)O)=CN1C)c1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KAT6A Q92794 1/20 0.31
▸ KAT5 Q92993 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21941201 0.92 PDK2 (0.33) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL19631375 0.77 SCN9A (0.36) KDM4ETDP1
SCHEMBL16946700 0.77 PDK2 (0.43) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL16947094 0.71 AAK1 (0.37) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL18353076 0.71 AAK1 (0.37) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL21601459 0.71 PDK2 (0.47) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL16947088 0.70 RBP4 (0.39) RBP4
SCHEMBL24552685 0.69 PKM (0.49) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL21076921 0.69 PDK2 (0.45) RBP4PDK2HTR2CSLC6A4HTR2A
SCHEMBL21601517 0.69 PDK2 (0.45) RBP4PDK2HTR2CSLC6A4HTR2A

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-3097107-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS INC (US) 2019-04-17 — — EP disclosed
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