SCHEMBL12285706

SCHEMBL12285706

CN1CCC(Oc2ccnc3ccc(CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.79

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
SCHEMBL10194292 0.93 PDPK1 (0.81) PDPK1
SCHEMBL10193555 0.89 PDPK1 (0.81) PDPK1
SCHEMBL2621928 0.89 PDPK1 (1.00) PDPK1
SCHEMBL12286125 0.87 PDPK1 (0.77) PDPK1
SCHEMBL2621923 0.85 PDPK1 (1.00) PDPK1
SCHEMBL2631926 0.83 PDPK1 (0.80) PDPK1
SCHEMBL10193450 0.82 PDPK1 (0.81) PDPK1
SCHEMBL2621930 0.80 PDPK1 (1.00) PDPK1
SCHEMBL2632100 0.80 PDPK1 (0.79) PDPK1
SCHEMBL2631998 0.79 PDPK1 (0.83) 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
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed