SCHEMBL21953172

SCHEMBL21953172

C=C1NC(C)(C)C(=O)N1c1cnc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.36
PANK3 Q9H999 1/20 0.30
SIRT6 Q8N6T7 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
SCHEMBL21857732 0.86 AR (0.45) ARPANK3SIRT6
SCHEMBL29913457 0.86 AR (0.45) ARPANK3SIRT6
SCHEMBL21953171 0.72 FPR2 (0.37) PANK3
SCHEMBL31009069 0.72 FPR2 (0.37) PANK3
SCHEMBL31657833 0.72 FPR2 (0.37) PANK3
SCHEMBL9900172 0.64 AR (0.56) AR
SCHEMBL18695380 0.63 BACE1 (0.32)
SCHEMBL23750019 0.61 PANK3 (0.31) PANK3SIRT6
SCHEMBL21580615 0.61 AR (0.51) AR
SCHEMBL1190896 0.61 AR (0.64) AR

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
WO-2021156584-A1 KV3 MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2021-08-12 WO disclosed
WO-2020079422-A1 NOVEL COMPOUNDS AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-23 WO disclosed