SCHEMBL29368456

SCHEMBL29368456

COc1ccc(-c2cccc3cnc(Nc4cccc(CN5CCN(C)CC5)c4)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 8/20 0.56
▸ JAK2 O60674 4/20 0.52
▸ JAK3 P52333 4/20 0.52
▸ PTK2 Q05397 2/20 0.51
▸ FGFR4 P22455 1/20 0.51
▸ BRD4 O60885 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ TBK1 Q9UHD2 1/20 0.48
▸ PLK1 P53350 1/20 0.47
▸ MAP3K11 Q16584 1/20 0.47
▸ RIPK2 O43353 1/20 0.46

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
SCHEMBL18377043 1.00 ACP1 (0.56) ACP1JAK2JAK3PTK2FGFR4
SCHEMBL18376598 0.91 FGFR4 (0.59) JAK2JAK3PTK2FGFR4AXL
SCHEMBL29371309 0.91 FGFR4 (0.59) JAK2JAK3PTK2FGFR4AXL
SCHEMBL28687101 0.89 JAK2 (0.49) ACP1JAK2JAK3PTK2FGFR4
SCHEMBL18376246 0.84 JAK2 (0.56) JAK2JAK3PTK2FGFR4BRD4
SCHEMBL29371334 0.84 JAK2 (0.56) JAK2JAK3PTK2FGFR4BRD4
SCHEMBL28696345 0.83 ACP1 (0.47) ACP1RIPK2
SCHEMBL29368231 0.81 RIPK2 (0.56) JAK2FGFR4BRD4RIPK2
SCHEMBL18376254 0.81 RIPK2 (0.56) JAK2FGFR4BRD4RIPK2
SCHEMBL18376603 0.81 FGFR2 (0.51) JAK2JAK3PTK2BRD4RIPK2

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 3 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
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