SCHEMBL30416695

SCHEMBL30416695

O=CC1CCN(c2ncc(-c3ccc(=O)[nH]n3)cc2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LCAT P04180 2/20 0.38
▸ KDR P35968 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ RPS6KB1 P23443 2/20 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
SCHEMBL25189703 1.00 HRH3 (0.39) HRH3KCNH2CNR2LCATKDR
SCHEMBL25698377 0.83 NOTUM (0.47) HRH3KCNH2KDR
SCHEMBL25181537 0.83 HRH3 (0.37) HRH3KCNH2CNR2LCATKDR
SCHEMBL25696487 0.71 LMNA (0.49) HRH3KCNH2KDRCYP1A2JAK2
SCHEMBL1769918 0.71 PDE3B (0.59) HRH3KDR
SCHEMBL13070911 0.69 PDE4A (0.47) HRH3KDRCYP1A2
SCHEMBL13071049 0.69 PDE3B (0.59) KDR
SCHEMBL29113210 0.68 PDE3B (0.46) KDR
SCHEMBL13071051 0.68 NOTUM (0.62) HRH3KDR
SCHEMBL12648976 0.67 WDR5 (0.47) HRH3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4434980-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-09-25 — — 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-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
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
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