SCHEMBL1895776

SCHEMBL1895776

COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(CCO)CCO

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.87
ERBB2 P04626 13/20 0.87
STK25 O00506 1/20 0.74
CIT O14578 1/20 0.74
CHEK1 O14757 1/20 0.74
GAK O14976 1/20 0.74
DAPK3 O43293 1/20 0.74
JAK2 O60674 1/20 0.74
STK17B O94768 1/20 0.74
STK10 O94804 1/20 0.74
MAP4K4 O95819 1/20 0.74
ABL1 P00519 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74
FES P07332 1/20 0.74
CSF1R P07333 1/20 0.74
YES1 P07947 1/20 0.74
LYN P07948 1/20 0.74
MET P08581 1/20 0.74
HCK P08631 1/20 0.74

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
SCHEMBL1894050 0.94 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL1891553 0.94 EGFR (0.85) EGFRERBB2STK25CITCHEK1
SCHEMBL6380481 0.93 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL1892752 0.92 EGFR (0.87) EGFRERBB2STK25CITCHEK1
SCHEMBL6382792 0.92 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL8132957 0.92 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL18933235 0.91 EGFR (0.71) EGFRERBB2STK25CITCHEK1
SCHEMBL1895928 0.90 EGFR (0.85) EGFRERBB2STK25CITCHEK1
SCHEMBL1898274 0.90 EGFR (0.89) EGFRERBB2STK25CITCHEK1
SCHEMBL1892665 0.90 EGFR (0.84) EGFRERBB2STK25CITCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US claimed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US claimed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US disclosed