SCHEMBL17559179

SCHEMBL17559179

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CC[As](C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 10/20 0.82
STK25 O00506 1/20 0.82
CIT O14578 1/20 0.82
CHEK1 O14757 1/20 0.82
GAK O14976 1/20 0.82
DAPK3 O43293 1/20 0.82
JAK2 O60674 1/20 0.82
STK17B O94768 1/20 0.82
STK10 O94804 1/20 0.82
MAP4K4 O95819 1/20 0.82
ABL1 P00519 1/20 0.82
LCK P06239 1/20 0.82
FYN P06241 1/20 0.82
FES P07332 1/20 0.82
CSF1R P07333 1/20 0.82
YES1 P07947 1/20 0.82
LYN P07948 1/20 0.82
MET P08581 1/20 0.82
HCK P08631 1/20 0.82

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
SCHEMBL17559176 1.00 EGFR (0.84) EGFRERBB2STK25CITCHEK1
SCHEMBL5499556 0.91 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL6466768 0.91 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL4965393 0.91 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL5499558 0.91 EGFR (0.86) EGFRERBB2STK25CITCHEK1
SCHEMBL4965396 0.91 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL5496335 0.90 EGFR (1.00) EGFRERBB2STK25CITCHEK1
SCHEMBL5496337 0.90 EGFR (1.00) EGFRERBB2STK25CITCHEK1
Pelitinib SCHEMBL29623744 0.90 EGFR (1.00) EGFRERBB2STK25CITCHEK1
Pelitinib SCHEMBL29349785 0.90 EGFR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189049-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-07-12 EP disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 WO disclosed