SCHEMBL28695538

SCHEMBL28695538

CCN(c1ccc(-c2cccc3cnc(Nc4cccc(CN5CCN(C(C)=O)CC5)c4)nc23)cc1)[SH](=O)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 2/20 0.49
▸ EGFR P00533 1/20 0.47
▸ JAK3 P52333 11/20 0.43
▸ JAK2 O60674 10/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ JUN P05412 1/20 0.39

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
SCHEMBL28673294 0.88 JAK3 (0.51) TBK1JAK3JAK2MAPK10TYK2
SCHEMBL28689804 0.88 EGFR (0.56) EGFRJAK3JAK2JAK1FGFR2
SCHEMBL18376767 0.84 TBK1 (0.49) TBK1EGFRJAK3JAK2JAK1
SCHEMBL18376784 0.83 TBK1 (0.49) TBK1EGFRJAK3JAK2JAK1
SCHEMBL18376780 0.82 TBK1 (0.49) TBK1EGFRJAK3JAK2JAK1
SCHEMBL18376779 0.81 TBK1 (0.50) TBK1EGFRJAK3JAK2JAK1
SCHEMBL28120634 0.80 CDK1 (0.53) TBK1JAK3JAK2MAPK10TYK2
SCHEMBL28674130 0.80 CDK1 (0.54) TBK1JAK3JAK2MAPK10TYK2
SCHEMBL18376781 0.79 TBK1 (0.50) TBK1EGFRJAK3JAK2JAK1
SCHEMBL28686752 0.79 EGFR (0.53) EGFRJAK3JAK2JAK1FGFR2

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 4 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-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
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