SCHEMBL14944367

SCHEMBL14944367

OCC1COCCN1CI

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.51
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
SPHK1 Q9NYA1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24630698 0.80 PDK1 (0.51) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL1700062 0.80 PDK1 (0.51) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL21369290 0.80 PDK1 (0.51) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL24801874 0.80 PDK1 (0.51) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL17778486 0.80 PDK1 (0.51) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL3427686 0.78 PDK1 (0.46) PDK1PDK2PDK3SPHK1L3MBTL1
SCHEMBL28127144 0.77 PDK1 (0.49) PDK1PDK2PDK3
SCHEMBL28189410 0.77 PDK1 (0.49) PDK1PDK2PDK3
SCHEMBL3427689 0.77 PDK1 (0.49) PDK1PDK2PDK3SPHK1
SCHEMBL28153185 0.77 PDK1 (0.49) PDK1PDK2PDK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed