SCHEMBL28696278

SCHEMBL28696278

C#Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OCCCN4CCOCC4)cc23)c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.92
▸ SRC P12931 6/20 0.71
▸ KDR P35968 4/20 0.71
▸ ERBB2 P04626 3/20 0.66
▸ BRAF P15056 3/20 0.66
▸ GAK O14976 3/20 0.66
▸ CIT O14578 2/20 0.66
▸ EPHB6 O15197 2/20 0.66
▸ DAPK3 O43293 2/20 0.66
▸ RIPK2 O43353 2/20 0.66
▸ RPS6KA4 O75676 2/20 0.66
▸ STK17B O94768 2/20 0.66
▸ STK10 O94804 2/20 0.66
▸ ABCB11 O95342 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ LCK P06239 2/20 0.66
▸ LYN P07948 2/20 0.66
▸ RET P07949 2/20 0.66
▸ ABCB1 P08183 2/20 0.66
▸ MET P08581 2/20 0.66

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
SCHEMBL29578659 1.00 EGFR (0.92) EGFRSRCKDRERBB2BRAF
SCHEMBL828788 0.96 EGFR (1.00) EGFRSRCKDRERBB2BRAF
SCHEMBL29483201 0.96 EGFR (1.00) EGFRSRCKDRERBB2BRAF
SCHEMBL29579338 0.95 EGFR (0.84) EGFRSRCKDRERBB2BRAF
SCHEMBL28700304 0.95 EGFR (0.84) EGFRSRCKDRERBB2BRAF
Hydrochloric Acid SCHEMBL30133464 0.95 EGFR (0.98) EGFRSRCKDRERBB2BRAF
Hydrochloric Acid SCHEMBL20534441 0.95 EGFR (0.98) EGFRSRCKDRERBB2BRAF
SCHEMBL23934779 0.93 EGFR (0.83) EGFRSRCKDRERBB2BRAF
SCHEMBL12743351 0.93 EGFR (0.80) EGFRSRCKDRERBB2BRAF
SCHEMBL826406 0.92 EGFR (0.78) EGFRSRCKDRERBB2BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069913-B Bis (morpholinylalkoxy) quinazoline derivative and application thereof in anti-tumor aspect 陕西师范大学 2022-03-01 — — CN claimed
CN-108069913-B Bis (morpholinylalkoxy) quinazoline derivative and application thereof in anti-tumor aspect 陕西师范大学 2022-03-01 — — CN disclosed
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