SCHEMBL29205091

SCHEMBL29205091

CCN1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(NS(=O)(=O)NC(C)(C)C)cc5)c4n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.55
▸ JAK2 O60674 6/20 0.54
▸ BRD4 O60885 4/20 0.54
▸ JAK3 P52333 5/20 0.49
▸ JAK1 P23458 2/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ FES P07332 1/20 0.49
▸ RET P07949 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ EPHB1 P54762 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ DDR1 Q08345 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ FGFR2 P21802 1/20 0.48
▸ TTK P33981 1/20 0.45
▸ EGFR P00533 1/20 0.44

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
SCHEMBL18376763 0.90 PTK2 (0.55) PTK2JAK2BRD4JAK3JAK1
SCHEMBL29205109 0.88 EGFR (0.58) PTK2JAK2BRD4JAK3JAK1
SCHEMBL18376775 0.85 PTK2 (0.51) PTK2JAK2BRD4JAK3JAK1
SCHEMBL18376753 0.84 PTK2 (0.56) PTK2JAK2BRD4JAK3JAK1
SCHEMBL18376754 0.84 PTK2 (0.54) PTK2JAK2BRD4JAK3JAK1
SCHEMBL28697640 0.83 PTK2 (0.51) PTK2JAK2BRD4JAK3JAK1
SCHEMBL18377065 0.83 PTK2 (0.55) PTK2JAK2BRD4JAK3JAK1
SCHEMBL29368482 0.83 PTK2 (0.55) PTK2JAK2BRD4JAK3JAK1
SCHEMBL28687781 0.82 PTK2 (0.54) PTK2JAK2BRD4JAK3JAK1
SCHEMBL18376247 0.81 BRD4 (0.60) PTK2JAK2BRD4JAK3JAK1

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 1 patent. 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
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