SCHEMBL24535930

SCHEMBL24535930

CC(C)c1ccc(CC(=O)CC2CCN(c3ccc(C#N)nn3)C2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 19/20 0.67
RIPK1 Q13546 1/20 0.41

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
SCHEMBL24536011 0.85 PANK3 (0.52) PANK3RIPK1
SCHEMBL24535873 0.85 PANK3 (0.51) PANK3RIPK1
SCHEMBL31717729 0.84 PANK3 (0.67) PANK3RIPK1
SCHEMBL19748466 0.84 PANK3 (0.67) PANK3RIPK1
SCHEMBL19748463 0.84 PANK3 (0.67) PANK3RIPK1
SCHEMBL21406136 0.78 PANK3 (0.64) PANK3
SCHEMBL19747958 0.78 PANK3 (0.64) PANK3
SCHEMBL31717534 0.78 PANK3 (0.64) PANK3
SCHEMBL31717844 0.78 PANK3 (0.64) PANK3
SCHEMBL24536009 0.77 PANK3 (0.50) PANK3RIPK1

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-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 WO disclosed