SCHEMBL29700481

SCHEMBL29700481

OCCC1CNCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 2/20 0.41
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 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
SCHEMBL29570896 0.86 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL2264568 0.86 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL19158572 0.83 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL11846170 0.80 MEN1 (0.46) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL1573628 0.79 CYP2D6 (0.45) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL17120414 0.79 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL26201345 0.79 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL17121746 0.79 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL11840965 0.78 CYP2D6 (0.44) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL9544082 0.77 MEN1 (0.50) MEN1CYP3A4CYP2D6KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912397-A Gefitinib intermediate impurity YKYZ-C-GF-3, and preparation method and control method thereof 江苏天士力帝益药业有限公司 2025-05-02 CN claimed
CN-114736171-A Preparation method of gefitinib intermediate 北京济美堂医药研究有限公司 2022-07-12 CN claimed
CN-119912397-A Gefitinib intermediate impurity YKYZ-C-GF-3, and preparation method and control method thereof 江苏天士力帝益药业有限公司 2025-05-02 CN disclosed
CN-119912397-A Gefitinib intermediate impurity YKYZ-C-GF-3, and preparation method and control method thereof 江苏天士力帝益药业有限公司 2025-05-02 CN disclosed
CN-119912397-A Gefitinib intermediate impurity YKYZ-C-GF-3, and preparation method and control method thereof 江苏天士力帝益药业有限公司 2025-05-02 CN disclosed
CN-119504436-A Improved preparation method of gemfibrozil intermediate 山东精进药业有限公司 2025-02-25 CN disclosed
CN-117069787-A EGFR proteolytic targeting chimeric, preparation method, pharmaceutical composition and application thereof 天津市肿瘤医院(天津医科大学肿瘤医院) 2023-11-17 CN disclosed
CN-111035619-B Gefitinib tablet and preparation method thereof 四川科伦药物研究院有限公司 2023-02-28 CN disclosed
CN-109721552-B Preparation method of gefitinib 上海北卡医药技术有限公司 2022-09-20 CN disclosed
CN-109721551-B Preparation method of 3, 4-dihydro-7-methoxy-4-oxoquinazolin-6-ol acetate 上海北卡医药技术有限公司 2022-09-20 CN disclosed
CN-114736171-A Preparation method of gefitinib intermediate 北京济美堂医药研究有限公司 2022-07-12 CN disclosed
CN-114736171-A Preparation method of gefitinib intermediate 北京济美堂医药研究有限公司 2022-07-12 CN disclosed
CN-114736171-A Preparation method of gefitinib intermediate 北京济美堂医药研究有限公司 2022-07-12 CN disclosed