SCHEMBL29624345

SCHEMBL29624345

COc1cc2ncnc(Nc3ccc(OCC(=O)N4CCN(C)CC4)cc3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.62
▸ EPHA2 P29317 1/20 0.62
▸ EPHB4 P54760 1/20 0.62
▸ EGFR P00533 16/20 0.61
▸ LCK P06239 2/20 0.60
▸ GAK O14976 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ RET P07949 1/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ JAK3 P52333 1/20 0.56
▸ AAK1 Q2M2I8 1/20 0.56
▸ Q6ZSR9 Q6ZSR9 1/20 0.56
▸ SLK Q9H2G2 1/20 0.56
▸ IRAK4 Q9NWZ3 1/20 0.56
▸ RPS6KA6 Q9UK32 1/20 0.56
▸ ALK Q9UM73 1/20 0.56

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
SCHEMBL29624350 0.91 KDR (0.61) KDREPHA2EPHB4EGFRLCK
SCHEMBL28726470 0.90 KDR (0.77) KDREPHA2EPHB4EGFRLCK
SCHEMBL29624383 0.90 KDR (0.77) KDREPHA2EPHB4EGFRLCK
SCHEMBL29624348 0.82 AURKB (0.71) KDREGFRLCKGAKRIPK2
SCHEMBL28726468 0.82 AURKB (0.71) KDREGFRLCKGAKRIPK2
SCHEMBL29624346 0.81 EGFR (0.66) KDREGFRLCKGAKRIPK2
SCHEMBL28726465 0.81 EGFR (0.66) KDREGFRLCKGAKRIPK2
SCHEMBL28726466 0.81 EGFR (0.69) KDREGFRLCKGAKRIPK2
SCHEMBL29624351 0.81 EGFR (0.69) KDREGFRLCKGAKRIPK2
SCHEMBL29624356 0.80 EGFR (0.67) KDREGFRLCKGAKRIPK2

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-109336828-B Quinazoline derivative and preparation method and application thereof 雅安职业技术学院 2022-04-26 — — CN disclosed
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