SCHEMBL16718858

SCHEMBL16718858

CCOC(=O)c1cnn2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 2/20 0.67
HPGD P15428 2/20 0.67
KDM4E B2RXH2 3/20 0.58
STING1 Q86WV6 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
IRAK4 Q9NWZ3 6/20 0.52
TGFBR1 P36897 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PDE2A O00408 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL19030768 0.84 LMNA (0.72) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL22857984 0.82 ALDH1A1 (0.50) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL21331457 0.81 ALDH1A1 (0.49) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL19997258 0.81 HSD17B10 (0.57) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL31218890 0.81 LMNA (0.54) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL22857935 0.81 ALDH1A1 (0.49) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL29749543 0.80 LMNA (0.54) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL17781106 0.79 TGFBR1 (0.62) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL22857936 0.79 HPGD (0.47) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL10042194 0.79 HTT (0.58) HSD17B10ALDH1A1LMNAHPGDKDM4E

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954831-A Pyrimidopyrazoles, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-05-09 CN disclosed
CN-119894895-A IRAK4 degradation agent and application thereof 领泰生物医药(绍兴)有限公司 2025-04-25 CN disclosed
CN-116829562-B Macrocyclic compound, pharmaceutical composition and application thereof 深圳国顺康医药科技有限公司 2025-04-01 CN disclosed
CN-119604512-A TYK2 inhibitor and application thereof 阿鲁米斯股份有限公司 2025-03-11 CN disclosed
CN-115873000-B Isoquinolinones and quinazolinones compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2025-02-28 CN disclosed
CN-113527298-B Macrocyclic lactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2025-01-03 CN disclosed
CN-113354653-B Diaryl macrocyclic polymorphs and processes for their preparation 特普医药公司 2024-12-31 CN disclosed
CN-113773335-B Compound serving as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-12-03 CN disclosed
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 CN disclosed
CN-118973581-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2024-11-15 CN disclosed
CN-110317214-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2022-11-22 CN disclosed
CN-110317213-B Diaryl macrocycles as modulators of protein kinases 特普医药公司 2022-10-18 CN disclosed
CN-115052660-A Substituted 7- (methylamino) pyrazolo [1,5-a ] pyrimidine-3-carboxamide derivatives 伊莱利利公司 2022-09-13 CN disclosed
CN-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed
CN-115038705-A 7- (methylamino) pyrazolo [1,5-a ] pyrimidine-3-carboxamide compounds 伊莱利利公司 2022-09-09 CN disclosed
WO-2022171139-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 北京国鸿生物医药科技有限公司 2022-08-18 WO disclosed
CN-110577532-B Tropomyosin receptor kinase inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2022-06-03 CN disclosed
CN-110950889-B Multi-target kinase inhibitor and preparation method and application thereof 北京赛林泰医药技术有限公司 2022-04-05 CN disclosed
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 WO disclosed
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 WO disclosed