SCHEMBL4753795

SCHEMBL4753795

CC(C)(C)OC(=O)NCC1CCC(CNc2nc(NCc3cccc(C(=O)NCCNC(=O)O)c3)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.56
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46

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
SCHEMBL5099328 0.96 PRKCQ (0.56) PRKCQ
SCHEMBL13999405 0.96 PRKCQ (0.56) PRKCQ
SCHEMBL5102644 0.94 PRKCQ (0.55) PRKCQ
SCHEMBL13999401 0.94 PRKCQ (0.55) PRKCQ
SCHEMBL5095837 0.91 PRKCQ (0.59) PRKCQ
SCHEMBL13999408 0.91 PRKCQ (0.59) PRKCQ
SCHEMBL5099323 0.88 PRKCQ (0.52) PRKCQ
SCHEMBL4697486 0.86 PRKCQ (0.59) PRKCQ
SCHEMBL4697483 0.86 PRKCQ (0.59) PRKCQ
SCHEMBL5102647 0.86 PRKCQ (0.54) PRKCQ

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-1966163-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed