SCHEMBL30165825

SCHEMBL30165825

Nc1ccc(N2CCC(C3OCCO3)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 10/20 0.40
▸ CHRNA4 P43681 10/20 0.40
▸ CHRNB4 P30926 9/20 0.40
▸ CHRNA3 P32297 9/20 0.40
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ GCKR Q14397 3/20 0.34
▸ GCK P35557 1/20 0.33

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
SCHEMBL27175853 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3PIK3R1
SCHEMBL30416628 0.93 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3PIK3R1
SCHEMBL25181538 0.93 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3PIK3R1
SCHEMBL28958013 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30160982 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25845596 0.76 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3GCKR
SCHEMBL21698694 0.75 CCNC (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29736525 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3PIK3R1
SCHEMBL29618159 0.74 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CA
SCHEMBL13769145 0.74 CDK1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CA

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
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 — — CN disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
Send feedback