SCHEMBL28698465

SCHEMBL28698465

CN1CCN(Cc2ccc(-c3cccc4cnc(Nc5ccc(N(C)[SH](=O)=O)cc5)nc34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.50
▸ AXL P30530 12/20 0.49
▸ AURKB Q96GD4 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ JAK2 O60674 6/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ KDR P35968 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ MERTK Q12866 3/20 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
SCHEMBL28676614 0.87 JAK2 (0.61) FGFR1AURKAJAK2JAK3PTK2
SCHEMBL28681322 0.85 MAPK10 (0.56) JAK2PTK2BRD4
SCHEMBL29371309 0.84 FGFR4 (0.59) FGFR1AXLJAK2JAK3PTK2
SCHEMBL18376598 0.84 FGFR4 (0.59) FGFR1AXLJAK2JAK3PTK2
SCHEMBL18376798 0.83 JAK2 (0.55) FGFR1AXLAURKBAURKAJAK2
SCHEMBL28120642 0.82 CDK1 (0.52) AURKAJAK2JAK3PTK2KDR
SCHEMBL28679014 0.81 JAK2 (0.51) FGFR1AXLAURKBAURKAJAK2
SCHEMBL18376789 0.80 BRAF (0.51) FGFR1AXLJAK2JAK3PTK2
SCHEMBL18376593 0.80 EGFR (0.61) FGFR1AXLJAK2JAK3PTK2
SCHEMBL28686746 0.79 MAPK10 (0.49) FGFR1AURKAJAK2JAK3PTK2

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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