SCHEMBL29670931

SCHEMBL29670931

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

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 12/20 0.81
EGFR P00533 7/20 0.65
GAK O14976 1/20 0.65
STK3 Q13188 1/20 0.64
ERBB2 P04626 5/20 0.63

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
SCHEMBL28503961 1.00 STK4 (0.81) STK4EGFRGAKSTK3ERBB2
SCHEMBL30390074 1.00 STK4 (0.81) STK4EGFRGAKSTK3ERBB2
Hydrochloric Acid SCHEMBL28499414 0.99 STK4 (0.80) STK4EGFRGAKSTK3ERBB2
Hydrochloric Acid SCHEMBL29670929 0.99 STK4 (0.80) STK4EGFRGAKSTK3ERBB2
SCHEMBL22419673 0.95 STK4 (0.84) STK4EGFRSTK3ERBB2
SCHEMBL28494494 0.92 STK4 (0.69) STK4EGFRGAKERBB2
SCHEMBL29670937 0.92 STK4 (0.69) STK4EGFRGAKERBB2
SCHEMBL30390357 0.92 STK4 (0.70) STK4EGFRGAKERBB2
SCHEMBL22419632 0.90 STK4 (1.00) STK4EGFRSTK3ERBB2
SCHEMBL18343640 0.89 STK4 (1.00) STK4EGFRSTK3ERBB2

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
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 claimed
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