SCHEMBL29670937

SCHEMBL29670937

C#Cc1cccc(Nc2c(C#N)cnc3cc(OCC)c(NC(=O)CC)cc23)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 13/20 0.69
EGFR P00533 7/20 0.64
GAK O14976 1/20 0.64
ERBB2 P04626 4/20 0.62

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
SCHEMBL28494494 1.00 STK4 (0.69) STK4EGFRGAKERBB2
SCHEMBL29670931 0.92 STK4 (0.81) STK4EGFRGAKERBB2
SCHEMBL28503961 0.92 STK4 (0.81) STK4EGFRGAKERBB2
SCHEMBL30390074 0.92 STK4 (0.81) STK4EGFRGAKERBB2
Hydrochloric Acid SCHEMBL29670929 0.92 STK4 (0.80) STK4EGFRGAKERBB2
Hydrochloric Acid SCHEMBL28499414 0.92 STK4 (0.80) STK4EGFRGAKERBB2
SCHEMBL30390357 0.91 STK4 (0.70) STK4EGFRGAKERBB2
SCHEMBL22419673 0.87 STK4 (0.84) STK4EGFRERBB2
SCHEMBL28487491 0.87 EGFR (0.67) STK4EGFRGAKERBB2
SCHEMBL29670935 0.87 EGFR (0.67) STK4EGFRGAKERBB2

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
CN-111875539-B Preparation method of EGFR (epidermal growth factor receptor) molecular targeted antitumor drug 苏中药业集团股份有限公司 2022-06-21 CN disclosed