SCHEMBL28120629

SCHEMBL28120629

CN(c1ccc(-c2cccc3cnc(Nc4cccc(N5CCOCC5)c4)nc23)cc1)[SH](=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.55
▸ MAPK10 P53779 5/20 0.51
▸ JUN P05412 4/20 0.51
▸ MAPK8 P45983 4/20 0.51
▸ JAK2 O60674 6/20 0.49
▸ PTK2 Q05397 3/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ RIPK2 O43353 2/20 0.47
▸ BRD4 O60885 2/20 0.47
▸ CCNA2 P20248 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ JAK1 P23458 1/20 0.44

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
SCHEMBL28680804 0.89 TTK (0.53) TTKMAPK10JUNMAPK8JAK2
SCHEMBL28687781 0.88 PTK2 (0.54) TTKJAK2PTK2JAK3BRD4
SCHEMBL28931694 0.87 EGFR (0.58) JAK2JAK3CCNT1CDK2CDK9
SCHEMBL28120642 0.86 CDK1 (0.52) TTKMAPK10JUNMAPK8JAK2
SCHEMBL28120721 0.85 TTK (0.49) TTKMAPK10JUNMAPK8JAK2
SCHEMBL18376727 0.85 TTK (0.61) TTKMAPK10JUNMAPK8JAK2
SCHEMBL29370855 0.85 TTK (0.61) TTKMAPK10JUNMAPK8JAK2
SCHEMBL30859695 0.84 TTK (0.65) TTKMAPK10JUNMAPK8JAK2
SCHEMBL18376252 0.84 TTK (0.65) TTKMAPK10JUNMAPK8JAK2
SCHEMBL18376846 0.83 JAK2 (0.56) TTKMAPK10JUNMAPK8JAK2

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
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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