SCHEMBL29253665

SCHEMBL29253665

C=CC(=O)Nc1cc(Nc2ncc(C)c(Nc3ccccc3P(C)C)n2)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ TYK2 P29597 1/20 0.57
▸ JAK3 P52333 1/20 0.57
▸ EGFR P00533 9/20 0.54
▸ SRC P12931 6/20 0.54
▸ MAP3K7 O43318 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAP2K1 Q02750 2/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ FGFR3 P22607 2/20 0.49
▸ KDR P35968 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
SCHEMBL22520165 0.92 JAK3 (0.63) JAK1JAK2TYK2JAK3EGFR
SCHEMBL29253766 0.92 JAK3 (0.56) JAK1JAK2TYK2JAK3EGFR
SCHEMBL22520152 0.89 EGFR (0.57) JAK1EGFRBRD4FGFR3KDR
SCHEMBL22497608 0.89 EGFR (0.69) JAK1JAK2TYK2JAK3EGFR
SCHEMBL22520226 0.88 EGFR (0.58) EGFR
SCHEMBL29253647 0.88 JAK2 (0.54) JAK1JAK2TYK2JAK3EGFR
SCHEMBL19027408 0.87 ALK (0.58) JAK1JAK2TYK2JAK3EGFR
SCHEMBL22520206 0.86 EGFR (0.57) JAK1EGFRBRD4FGFR3KDR
SCHEMBL22520094 0.81 EGFR (0.65) JAK1JAK2TYK2JAK3EGFR
SCHEMBL22520099 0.81 EGFR (0.67) JAK1JAK2TYK2JAK3EGFR

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-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 — — CN disclosed
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