SCHEMBL18376858

SCHEMBL18376858

CCN1CCN(c2ccc(Nc3ncc4cccc(-c5ccc(C(=O)NCCC#N)cc5)c4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 9/20 0.51
▸ FGFR2 P21802 1/20 0.51
▸ JAK2 O60674 7/20 0.50
▸ JAK3 P52333 6/20 0.50
▸ MAPK10 P53779 2/20 0.48
▸ BMPR1B O00238 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CIT O14578 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ OPA1 O60313 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ STK16 O75716 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ MARK3 P27448 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ BMPR1A P36894 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48

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
SCHEMBL18376783 0.93 JAK2 (0.58) PTK2FGFR2JAK2JAK3MAPK10
SCHEMBL18376762 0.93 JAK2 (0.51) PTK2FGFR2JAK2JAK3MAPK10
SCHEMBL18376857 0.91 EGFR (0.58) FGFR2JAK2JAK3MAPK10BMPR1B
SCHEMBL18376856 0.87 JAK2 (0.51) PTK2FGFR2JAK2JAK3MAPK10
SCHEMBL18376744 0.85 JAK2 (0.58) PTK2FGFR2JAK2JAK3MAPK10
SCHEMBL18376839 0.84 EGFR (0.53) FGFR2JAK2JAK3MAPK10JAK1
SCHEMBL18376849 0.83 JAK2 (0.61) FGFR2JAK2JAK3MAPK10BMPR1B
SCHEMBL18376781 0.79 TBK1 (0.50) FGFR2JAK2JAK3MAPK10JAK1
SCHEMBL18376855 0.79 JAK2 (0.58) PTK2FGFR2JAK2JAK3MAPK10
SCHEMBL18377059 0.79 CDK1 (0.51) PTK2JAK2JAK3MAPK10STK16

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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