SCHEMBL18376797

SCHEMBL18376797

COc1ccc(-c2cccc3cnc(Nc4cccc(N5CCN(CC(C)C)CC5)c4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.49
▸ PTK2 Q05397 7/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ TTK P33981 3/20 0.48
▸ FGFR2 P21802 2/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ RIPK2 O43353 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL29371245 1.00 JAK2 (0.49) JAK2PTK2JAK3TTKFGFR2
SCHEMBL18376652 0.91 PTK2 (0.52) JAK2PTK2TTKFGFR2BRD4
SCHEMBL18377065 0.91 PTK2 (0.55) JAK2PTK2JAK3TTKFGFR2
SCHEMBL29368482 0.91 PTK2 (0.55) JAK2PTK2JAK3TTKFGFR2
SCHEMBL18376603 0.89 FGFR2 (0.51) JAK2PTK2JAK3TTKFGFR2
SCHEMBL18376788 0.89 FGFR2 (0.58) JAK2PTK2JAK3TTKFGFR2
SCHEMBL29370825 0.89 FGFR2 (0.51) JAK2PTK2JAK3TTKFGFR2
SCHEMBL18376790 0.89 TTK (0.50) JAK2TTKFGFR2BRD4KDR
SCHEMBL29371949 0.89 TTK (0.50) JAK2TTKFGFR2BRD4KDR
SCHEMBL18376597 0.88 TTK (0.50) JAK2PTK2TTKFGFR2BRD4

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-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
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 — — WO disclosed
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