SCHEMBL7962437

SCHEMBL7962437

CC(C)(C)C(O)C#Cc1ccc2ncncc2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.42
AR P10275 1/20 0.39
FGFR4 P22455 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
TNIK Q9UKE5 5/20 0.33
TDO2 P48775 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
SCHEMBL7959593 0.70 EGFR (0.51) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL3393275 0.70 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CATDO2
SCHEMBL30853054 0.70 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CATDO2
SCHEMBL30618089 0.70 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CATDO2
SCHEMBL737948 0.70 EGFR (0.55) EGFRARFGFR4PIK3CDPIK3CA
SCHEMBL2011007 0.70 EGFR (0.55) EGFRARFGFR4PIK3CDPIK3CA
SCHEMBL5077890 0.69 EGFR (0.51) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL7962439 0.68 EGFR (0.43) EGFRARFGFR4PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL30376208 0.68 EGFR (0.53) EGFRFGFR4PIK3CDPIK3CATDO2
SCHEMBL27788810 0.68 EGFR (0.53) EGFRFGFR4PIK3CDPIK3CATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed