SCHEMBL27458919

SCHEMBL27458919

CCOc1cc2ncc(C#N)c(N(C)c3ccccc3N)c2cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 3/20 0.55
▸ EGFR P00533 8/20 0.47
▸ ERBB2 P04626 7/20 0.47
▸ SRC P12931 4/20 0.45
▸ LRRK2 Q5S007 1/20 0.40
▸ MAP2K1 Q02750 3/20 0.39
▸ PDPK1 O15530 1/20 0.39

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 0.84 STK4 (0.73) STK4EGFRERBB2SRCLRRK2
SCHEMBL7617908 0.81 EGFR (0.51) EGFRERBB2SRCMAP2K1
SCHEMBL27460476 0.78 EGFR (0.61) STK4EGFRERBB2SRCLRRK2
SCHEMBL27482851 0.77 STK4 (0.56) STK4EGFRERBB2SRCLRRK2
SCHEMBL27433614 0.77 STK4 (0.55) STK4EGFRERBB2SRCLRRK2
SCHEMBL27432836 0.77 STK4 (0.55) STK4EGFRERBB2SRCMAP2K1
SCHEMBL27480999 0.77 STK4 (0.55) STK4EGFRERBB2SRCMAP2K1
SCHEMBL6381772 0.74 EGFR (0.56) STK4EGFRERBB2SRCMAP2K1
SCHEMBL22419654 0.71 STK4 (1.00) STK4EGFRERBB2LRRK2
SCHEMBL4744821 0.71 EGFR (0.55) STK4EGFRERBB2SRCPDPK1

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 6 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-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 — — CN claimed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 — — CN claimed
CN-1190197-C Application of cyanoquinoline in preparing medicine for treating or inhibiting colonic polyp HEWLETT HOLDINGS CORP (US) 2005-02-23 — — CN disclosed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 — — CN disclosed
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 — — CN disclosed
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