SCHEMBL23169690

SCHEMBL23169690

CCC[C@@H](CNc1ncc(CC(=O)OC(C)(C)C)cn1)Nc1ccc2ccnc(OC)c2n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL23169691 0.80 MAOB (0.32)
SCHEMBL29137722 0.77 BRAF (0.39)
SCHEMBL23169315 0.76 EZH2 (0.50)
SCHEMBL23169635 0.72 TLR8 (0.38)
SCHEMBL23169632 0.68 PCSK9 (0.34) PCSK9
SCHEMBL32661741 0.67 EZH2 (0.37)
SCHEMBL23169582 0.67 EZH2 (0.54)
SCHEMBL29137721 0.65 CAMK2D (0.40)
SCHEMBL23169459 0.64 EZH2 (0.53)
SCHEMBL23169544 0.64 EZH2 (0.58)

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-2021057853-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-04-01 WO disclosed