SCHEMBL29368482

SCHEMBL29368482

CCN1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(OC)cc5)c4n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 9/20 0.55
▸ TTK P33981 3/20 0.50
▸ FGFR2 P21802 3/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ FGFR4 P22455 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ JAK2 O60674 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ FES P07332 1/20 0.46
▸ RET P07949 1/20 0.46
▸ ROS1 P08922 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ EPHB1 P54762 1/20 0.46
▸ CSNK2A1 P68400 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
SCHEMBL18377065 1.00 PTK2 (0.55) PTK2TTKFGFR2FGFR1FGFR4
SCHEMBL29370825 0.93 FGFR2 (0.51) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376603 0.93 FGFR2 (0.51) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376788 0.91 FGFR2 (0.58) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376647 0.91 PTK2 (0.63) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376597 0.91 TTK (0.50) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL29370866 0.91 TTK (0.50) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376797 0.91 JAK2 (0.49) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL29371245 0.91 JAK2 (0.49) PTK2TTKFGFR2FGFR1JAK2
SCHEMBL18376246 0.90 JAK2 (0.56) PTK2TTKFGFR1FGFR4JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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