SCHEMBL19712593

SCHEMBL19712593

O=C(NCC#Cc1ccc2ncc(NC3CCC(N4CCN(CC5CC5)CC4)CC3)nc2c1)c1cccn(C(CO)c2cccc(F)c2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 1.00

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
SCHEMBL2118768 1.00 PDPK1 (1.00) PDPK1
SCHEMBL2621882 1.00 PDPK1 (1.00) PDPK1
SCHEMBL2621887 0.94 PDPK1 (1.00) PDPK1
SCHEMBL2621886 0.91 PDPK1 (1.00) PDPK1
SCHEMBL2632181 0.90 PDPK1 (0.81) PDPK1
SCHEMBL2621885 0.88 PDPK1 (1.00) PDPK1
SCHEMBL19723184 0.88 PDPK1 (0.82) PDPK1
SCHEMBL2621877 0.86 PDPK1 (1.00) PDPK1
SCHEMBL2621880 0.85 PDPK1 (1.00) PDPK1
SCHEMBL2632092 0.83 PDPK1 (0.80) PDPK1

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-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP claimed