SCHEMBL28696326

SCHEMBL28696326

CN1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(S(C)(=O)=O)cc5)c4n3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.67
▸ JAK3 P52333 15/20 0.67
▸ PTK2 Q05397 13/20 0.67
▸ JAK1 P23458 4/20 0.67
▸ ABCB1 P08183 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ BRD4 O60885 2/20 0.60
▸ AURKA O14965 1/20 0.56
▸ CDK4 P11802 1/20 0.56

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
SCHEMBL18376584 0.92 JAK2 (0.67) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL29371808 0.91 JAK2 (0.58) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18377030 0.91 JAK2 (0.58) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376655 0.91 JAK2 (0.67) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL30859687 0.90 JAK2 (0.57) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376740 0.90 JAK2 (0.57) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376738 0.90 JAK2 (0.64) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376829 0.89 EGFR (0.60) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376247 0.89 BRD4 (0.60) JAK2JAK3PTK2JAK1ABCB1
SCHEMBL18376225 0.89 JAK2 (0.59) JAK2JAK3PTK2JAK1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999180-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2022-02-01 — — CN claimed
CN-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 — — CN claimed
CN-113999180-B Quinazoline compound, intermediate, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2024-03-26 — — CN disclosed
CN-113999180-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2022-02-01 — — CN disclosed
CN-106316965-B Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2021-08-27 — — CN disclosed
CN-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 — — CN disclosed
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