SCHEMBL4053083

SCHEMBL4053083

[c]1cc2ncncc2cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.43
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL3940815 0.70 EGFR (0.34) EGFR
SCHEMBL80966 0.68 EGFR (0.52) EGFRPIK3CDPIK3CA
SCHEMBL275923 0.68 ALDH1A1 (0.46)
SCHEMBL208208 0.67 PARP1 (0.35)
SCHEMBL6119198 0.67 EGFR (0.50) EGFRPIK3CDPIK3CA
SCHEMBL3941104 0.67
SCHEMBL29865299 0.67 EGFR (0.50) EGFRPIK3CDPIK3CA
SCHEMBL3627798 0.67
SCHEMBL211102 0.67 DYRK1A (0.37)
SCHEMBL209394 0.67 HTR3A (0.31)

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
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