SCHEMBL31572161

SCHEMBL31572161

CN1c2ncnc3cccc(c23)OC2CCCC21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.35
CHRNA3 P32297 9/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL31572160 1.00 CHRNB4 (0.35) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
SCHEMBL30832371 0.67 GRM5 (0.40) LMNAHTTSMN1; SMN2NCOA3HRH4
SCHEMBL21311774 0.67 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30937441 0.66 CHRNB4 (0.35) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29999565 0.66 GRM5 (0.48) LMNAHTTSMN1; SMN2HRH4
SCHEMBL31578578 0.64
SCHEMBL23416755 0.60 CHRNB4 (0.31) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17827750 0.59 PDGFRB (0.50) LMNASMN1; SMN2HRH4
SCHEMBL22825538 0.58
SCHEMBL30789308 0.58 PTK2 (0.40) LMNAHTT

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-2025096738-A1 KRAS INHIBITORS INCYTE CORPORATION (US) 2025-05-08 WO disclosed