SCHEMBL18632986

SCHEMBL18632986

C=CC(=O)Nc1cc(CNc2ccc(F)c(Cl)c2)c(/N=C\N)cc1OCC1COC2(CCN(C)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.64
▸ ERBB4 Q15303 3/20 0.47
▸ ERBB2 P04626 7/20 0.40
▸ ERBB3 P21860 3/20 0.38
▸ KIT P10721 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ MAP2K7 O14733 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ STK17B O94768 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ YES1 P07947 1/20 0.38

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
SCHEMBL18633117 0.86 ERBB4 (0.51) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL15090537 0.78 EGFR (1.00) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL18632984 0.77 EGFR (0.64) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL18632963 0.69 EGFR (0.83) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL15090523 0.69 EGFR (1.00) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL15090755 0.68 EGFR (0.82) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL255508 0.67 EGFR (1.00) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL18632987 0.66 EGFR (0.76) EGFRERBB2KDREPHB4
SCHEMBL15090536 0.66 EGFR (0.87) EGFRERBB4ERBB2ERBB3KIT
SCHEMBL18633153 0.65 EGFR (0.64) EGFRERBB4ERBB2ERBB3KIT

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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