SCHEMBL24536009

SCHEMBL24536009

C=C(C)c1ccc(CC(=O)CC2CCN(c3ccc(C#N)nn3)C2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 16/20 0.50
RIPK1 Q13546 1/20 0.39
TACR3 P29371 2/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL19748934 0.85 PANK3 (0.50) PANK3RIPK1TACR3
SCHEMBL19748933 0.85 PANK3 (0.50) PANK3RIPK1TACR3
SCHEMBL31717392 0.85 PANK3 (0.50) PANK3RIPK1TACR3
SCHEMBL24536011 0.83 PANK3 (0.52) PANK3RIPK1CHRM4
SCHEMBL24535930 0.77 PANK3 (0.67) PANK3RIPK1
SCHEMBL24535873 0.76 PANK3 (0.51) PANK3RIPK1CHRM4
SCHEMBL26501563 0.73 GLS (0.41) PANK3
SCHEMBL21424014 0.70 PANK3 (0.38) PANK3
SCHEMBL21423669 0.70 PANK3 (0.51) PANK3RIPK1
SCHEMBL31717785 0.70 PANK3 (0.51) 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