SCHEMBL18376648

SCHEMBL18376648

CCCN1CCN(c2ccc(Nc3ncc4cccc(-c5ccc(OC)cc5)c4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 1/20 0.56
▸ PTK2 Q05397 3/20 0.55
▸ BRD4 O60885 3/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ TTK P33981 2/20 0.50
▸ FGFR4 P22455 2/20 0.50
▸ AURKA O14965 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ JUN P05412 4/20 0.48
▸ MAPK8 P45983 4/20 0.48
▸ MAPK10 P53779 4/20 0.48
▸ EGFR P00533 1/20 0.47

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
SCHEMBL29371829 1.00 FGFR2 (0.56) FGFR2PTK2BRD4JAK2DRD2
SCHEMBL18376647 0.93 PTK2 (0.63) FGFR2PTK2BRD4JAK2TTK
SCHEMBL18376603 0.91 FGFR2 (0.51) FGFR2PTK2BRD4JAK2DRD2
SCHEMBL29370825 0.91 FGFR2 (0.51) FGFR2PTK2BRD4JAK2DRD2
SCHEMBL18377046 0.90 BRD4 (0.63) BRD4JAK2TTKFGFR4AURKA
SCHEMBL18376654 0.89 PTK2 (0.52) FGFR2PTK2BRD4JAK2DRD2
SCHEMBL18376652 0.89 PTK2 (0.52) FGFR2PTK2BRD4JAK2TTK
SCHEMBL29368354 0.88 CDK4 (0.57) PTK2BRD4JAK2TTKFGFR4
SCHEMBL18376599 0.88 CDK4 (0.57) PTK2BRD4JAK2TTKFGFR4
SCHEMBL18376760 0.86 TTK (0.66) PTK2BRD4JAK2TTKFGFR4

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 4 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
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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