SCHEMBL27460476

SCHEMBL27460476

CCOc1cc2ncc(C#N)c(N(C)c3cccc(Br)c3)c2cc1OCC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.61
▸ ERBB2 P04626 11/20 0.61
▸ STK4 Q13043 1/20 0.59
▸ GAK O14976 1/20 0.48
▸ SRC P12931 2/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43

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
SCHEMBL6382054 0.88 STK4 (0.73) EGFRERBB2STK4SRCLRRK2
SCHEMBL27433614 0.82 STK4 (0.55) EGFRERBB2STK4GAKSRC
SCHEMBL27432836 0.82 STK4 (0.55) EGFRERBB2STK4SRC
SCHEMBL27480999 0.82 STK4 (0.55) EGFRERBB2STK4SRC
SCHEMBL27458919 0.78 STK4 (0.55) EGFRERBB2STK4SRCLRRK2
SCHEMBL27482851 0.77 STK4 (0.56) EGFRERBB2STK4SRCLRRK2
SCHEMBL95052 0.76 EGFR (1.00) EGFRERBB2STK4GAK
SCHEMBL22419654 0.75 STK4 (1.00) EGFRERBB2STK4LRRK2
SCHEMBL6381492 0.74 EGFR (0.71) EGFRERBB2STK4GAKSRC
SCHEMBL6380499 0.73 EGFR (1.00) EGFRERBB2GAKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 — — CN claimed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 — — CN claimed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 — — CN disclosed
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