SCHEMBL28120334

SCHEMBL28120334

COc1ccc(-c2cccc3cnc(Nc4ccc(C)c(N5CCN(C)CC5)c4)nc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.51
▸ JAK2 O60674 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ AURKA O14965 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ FGFR4 P22455 2/20 0.46
▸ MAPK10 P53779 3/20 0.46
▸ JUN P05412 2/20 0.46
▸ AXL P30530 2/20 0.46
▸ TTK P33981 3/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ JAK3 P52333 1/20 0.44
▸ RIPK2 O43353 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
SCHEMBL18376659 0.90 BRD4 (0.49) BRD4JAK2EGFRAURKACDK4
SCHEMBL18377070 0.88 BRD4 (0.53) BRD4JAK2EGFRAURKACDK4
SCHEMBL18377071 0.87 BRD4 (0.52) BRD4JAK2EGFRAURKACDK4
SCHEMBL18376246 0.86 JAK2 (0.56) BRD4JAK2EGFRAURKACDK4
SCHEMBL29371334 0.86 JAK2 (0.56) BRD4JAK2EGFRAURKACDK4
SCHEMBL18377046 0.86 BRD4 (0.63) BRD4JAK2EGFRAURKACDK4
SCHEMBL18376657 0.85 EGFR (0.49) BRD4JAK2EGFRAURKACDK4
SCHEMBL18376649 0.85 EGFR (0.50) BRD4JAK2EGFRAURKACDK4
SCHEMBL18376838 0.84 BRD4 (0.49) BRD4JAK2EGFRAURKACDK4
SCHEMBL29370835 0.84 BRD4 (0.49) BRD4JAK2EGFRAURKACDK4

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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