SCHEMBL27454763

SCHEMBL27454763

C=CC(=O)Nc1cc2c(Nc3cccc(CN)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.81
▸ ERBB2 P04626 5/20 0.81
▸ KIT P10721 2/20 0.72
▸ SRC P12931 2/20 0.72
▸ ERBB3 P21860 2/20 0.72
▸ ERBB4 Q15303 2/20 0.72
▸ BMPR1B O00238 1/20 0.72
▸ CIT O14578 1/20 0.72
▸ MAP2K7 O14733 1/20 0.72
▸ GAK O14976 1/20 0.72
▸ EPHB6 O15197 1/20 0.72
▸ MAP3K7 O43318 1/20 0.72
▸ RIPK2 O43353 1/20 0.72
▸ STK17B O94768 1/20 0.72
▸ STK10 O94804 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ LCK P06239 1/20 0.72
▸ FYN P06241 1/20 0.72
▸ YES1 P07947 1/20 0.72
▸ LYN P07948 1/20 0.72

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
SCHEMBL2995071 0.90 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL3261578 0.90 EGFR (0.84) EGFRERBB2KITSRCERBB3
SCHEMBL29519908 0.90 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL2989664 0.90 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL25211674 0.87 EGFR (0.79) EGFRERBB2KITSRCERBB3
SCHEMBL30549063 0.87 EGFR (0.79) EGFRERBB2KITSRCERBB3
SCHEMBL25213338 0.86 EGFR (0.78) EGFRERBB2KITSRCERBB3
SCHEMBL26055531 0.86 EGFR (0.85) EGFRERBB2KITSRCERBB3
SCHEMBL25244129 0.86 EGFR (0.78) EGFRERBB2KITSRCERBB3
SCHEMBL30415948 0.86 EGFR (0.88) EGFRERBB2KITSRCERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100503580-C Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2009-06-24 — — CN disclosed
CN-1923818-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2007-03-07 — — CN disclosed
CN-1495172-A Irreversible inhibitors of tyrosine kinases ��ʲ 2004-05-12 — — CN disclosed
CN-1145614-C Irreversible inhibitors of tyrosine kinases, their pharmaceutical use and pharmaceutical compositions ��ʲ 2004-04-14 — — CN disclosed
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 — — CN disclosed
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