SCHEMBL14309044

SCHEMBL14309044

CC(C)(C)OC(=O)NCC/C=C/CCNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.64
▸ MAPT P10636 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ BRD4 O60885 2/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.46
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL13333277 0.93 PDPK1 (0.61) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL13306397 0.92 PDPK1 (0.62) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL13306405 0.89 PDPK1 (0.64) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL4989827 0.81 MAPT (0.50) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL14090925 0.81 MAPT (0.51) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL13306410 0.79 PDPK1 (1.00) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL15871894 0.78 PDPK1 (0.67) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL13306400 0.76 PDPK1 (0.63) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL19788434 0.75 ATM (0.69) PDPK1MAPTPOLBKMT2AMEN1
SCHEMBL4430752 0.74 C3AR1 (0.46) PDPK1MAPTPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 — — EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 — — WO disclosed
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