SCHEMBL6385221

SCHEMBL6385221

CCOc1ccc2c(Nc3ccccc3)c(C#N)cnc2c1OCC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 7/20 0.55
EGFR P00533 4/20 0.52
ERBB2 P04626 4/20 0.52
MAP2K1 Q02750 8/20 0.51
SRC P12931 1/20 0.49
RAF1 P04049 5/20 0.46

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
SCHEMBL6384516 0.89 EGFR (0.54) STK4EGFRERBB2MAP2K1SRC
SCHEMBL6383793 0.87 EGFR (0.58) STK4EGFRERBB2SRC
SCHEMBL6383932 0.87 EGFR (0.70) EGFRERBB2
SCHEMBL6382237 0.87 EGFR (0.58) STK4EGFRERBB2SRC
SCHEMBL6386029 0.84 EGFR (0.61) STK4EGFRERBB2SRC
SCHEMBL6382030 0.82 MAP2K1 (0.55) STK4EGFRERBB2MAP2K1SRC
SCHEMBL6379852 0.81 EGFR (0.69) STK4EGFRERBB2
SCHEMBL6385998 0.81 EGFR (0.69) EGFRERBB2SRC
SCHEMBL6997292 0.81 EGFR (0.46) STK4EGFRERBB2SRC
SCHEMBL6384070 0.81 EGFR (0.71) STK4EGFRERBB2MAP2K1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed