SCHEMBL30416847

SCHEMBL30416847

NC(=O)c1cnc(N2CCCCC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL30516890 0.84 KDM4E (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL30416506 0.84 POLB (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL30416015 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRCASP1
SCHEMBL30416389 0.84 KDM4E (0.48) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL30415191 0.81 HDAC6 (0.44) AOC3HDAC6CYP2C9CYP2C19
SCHEMBL4790004 0.77 POLB (0.49) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL30416836 0.77 AOC3 (0.43) AOC3HDAC6
SCHEMBL20917117 0.75 POLB (0.50) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL29546455 0.75 HRH3 (0.49) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL9461754 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHPGDTSHR

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 5 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
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
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