SCHEMBL3935658

SCHEMBL3935658

[c]1nncc2cncnc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.35
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL4054789 0.70 EGFR (0.37) EGFR
SCHEMBL3934464 0.70 EGFR (0.38) EGFR
SCHEMBL3906666 0.67 KDM4E (0.39)
SCHEMBL3941587 0.67 EGFR (0.34) EGFR
SCHEMBL3942850 0.65
SCHEMBL6119198 0.64 EGFR (0.50) EGFRPIK3CDPIK3CA
SCHEMBL29865299 0.64 EGFR (0.50) EGFRPIK3CDPIK3CA
SCHEMBL2393986 0.62
SCHEMBL8311252 0.61 EGFR (0.38) EGFR
SCHEMBL20483 0.61 EGFR (0.47) EGFRPIK3CDPIK3CA

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
WO-2009010156-A2 SUBSTITUTED PHENYLPROPOARGYL COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-01-22 WO disclosed
EP-2017264-A1 Substituted phenyl propargyl compounds, method for their manufacture and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-01-21 EP disclosed