SCHEMBL24536005

SCHEMBL24536005

N#Cc1ccc(N2CC[C@@H](O)C2)nn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 14/20 0.47
AR P10275 1/20 0.45
RIPK1 Q13546 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
JAK3 P52333 3/20 0.41
TYK2 P29597 2/20 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
SCHEMBL24535922 1.00 PANK3 (0.47) PANK3ARRIPK1EGLN1JAK2
SCHEMBL16478698 0.80 PANK3 (0.46) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL16478731 0.80 PANK3 (0.46) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL17687600 0.78 PANK3 (0.48) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL9920182 0.78 PANK3 (0.44) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL18231637 0.78 PANK3 (0.47) PANK3JAK2JAK1JAK3TYK2
SCHEMBL12683435 0.78 PANK3 (0.47) PANK3JAK2JAK1JAK3TYK2
SCHEMBL12595494 0.78 GLS (0.40)
SCHEMBL12683356 0.78 PANK3 (0.47) PANK3JAK2JAK1JAK3TYK2
SCHEMBL1977612 0.76 LMNA (0.59) PANK3AR

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