SCHEMBL18632963

SCHEMBL18632963

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1COC2(CCNCC2)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.83
▸ ERBB3 P21860 3/20 0.65
▸ DUS2 Q9NX74 1/20 0.65
▸ ERBB2 P04626 8/20 0.63
▸ KDR P35968 2/20 0.62
▸ KIT P10721 2/20 0.60
▸ SRC P12931 2/20 0.60
▸ ERBB4 Q15303 2/20 0.60
▸ BMPR1B O00238 1/20 0.60
▸ CIT O14578 1/20 0.60
▸ MAP2K7 O14733 1/20 0.60
▸ GAK O14976 1/20 0.60
▸ EPHB6 O15197 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ RIPK2 O43353 1/20 0.60
▸ STK17B O94768 1/20 0.60
▸ STK10 O94804 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ FYN P06241 1/20 0.60

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
SCHEMBL15090537 0.91 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL15090523 0.82 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL15090755 0.81 EGFR (0.82) EGFRERBB3DUS2ERBB2KDR
SCHEMBL15090536 0.80 EGFR (0.87) EGFRERBB3DUS2ERBB2KDR
SCHEMBL255508 0.80 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL29478966 0.79 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL21801932 0.79 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL29617536 0.79 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL7224151 0.79 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL22962549 0.79 EGFR (0.84) EGFRERBB3DUS2ERBB2KDR

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
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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