SCHEMBL6383103

SCHEMBL6383103

CCOc1ccc2c(NCc3ccccc3N)c(C#N)cnc2c1OCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.39
▸ EGFR P00533 6/20 0.37
▸ ERBB2 P04626 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ STK4 Q13043 4/20 0.36
▸ PTK2 Q05397 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ STK3 Q13188 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL6381772 0.82 EGFR (0.56) EGFRERBB2SRCSTK4
SCHEMBL6385221 0.79 STK4 (0.55) EGFRERBB2SRCSTK4
SCHEMBL6385203 0.78 SRC (0.47) EGFRERBB2ALDH1A1SRC
SCHEMBL6383733 0.77 PDE5A (0.47) EGFRERBB2SRC
SCHEMBL6386181 0.77 EGFR (0.43) EGFRERBB2SRCSTK4
SCHEMBL6384516 0.73 EGFR (0.54) EGFRERBB2SRCSTK4
SCHEMBL6382237 0.72 EGFR (0.58) PRKCQEGFRERBB2SRCSTK4
SCHEMBL6383793 0.72 EGFR (0.58) PRKCQEGFRERBB2SRCSTK4
SCHEMBL6383932 0.72 EGFR (0.70) PRKCQEGFRERBB2
SCHEMBL6383971 0.70 STK4 (0.55) EGFRERBB2ALDH1A1SRCSTK4

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
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