SCHEMBL30416628

SCHEMBL30416628

Nc1ccc(N2CCC(C3OCCO3)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.38
▸ CHRNA4 P43681 7/20 0.38
▸ CHRNB4 P30926 6/20 0.38
▸ CHRNA3 P32297 6/20 0.38
▸ GCK P35557 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ GCKR Q14397 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TRPC6 Q9Y210 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 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
SCHEMBL25181538 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL27175853 0.93 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL30165825 0.93 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL25845596 0.80 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL25174002 0.80 MAPT (0.47) PIK3CAPIK3R1MTORGPR119POLB
SCHEMBL31607859 0.78 PIK3CA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL26641843 0.78 PIK3CA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL23459580 0.78 NR1H4 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3GPR119
SCHEMBL13768976 0.78 HRH3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL18291319 0.78 MAPT (0.48) CHRNB2CHRNA4CHRNB4CHRNA3GCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457225-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2024-11-06 — — EP disclosed
CN-118598858-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-09-06 — — CN disclosed
CN-118475571-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-08-09 — — CN disclosed
CN-116143757-B Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-07-05 — — CN disclosed
WO-2023125908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 — — WO disclosed
CN-116143757-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2023-05-23 — — CN disclosed
Send feedback