SCHEMBL29623422

SCHEMBL29623422

COCCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 14/20 0.73
JAK3 P52333 1/20 0.67
ERBB4 Q15303 1/20 0.67

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
SCHEMBL208102 1.00 EGFR (0.75) EGFRERBB2JAK3ERBB4
SCHEMBL185179 1.00 EGFR (0.75) EGFRERBB2JAK3ERBB4
SCHEMBL3584884 0.96 EGFR (0.76) EGFRERBB2JAK3ERBB4
SCHEMBL3584888 0.96 EGFR (0.76) EGFRERBB2JAK3ERBB4
SCHEMBL1190971 0.94 EGFR (0.74) EGFRERBB2JAK3ERBB4
SCHEMBL1190970 0.94 EGFR (0.74) EGFRERBB2JAK3ERBB4
SCHEMBL1190009 0.92 EGFR (0.72) EGFRERBB2JAK3ERBB4
SCHEMBL1190010 0.92 EGFR (0.72) EGFRERBB2JAK3ERBB4
SCHEMBL3577825 0.92 EGFR (0.73) EGFRERBB2JAK3ERBB4
SCHEMBL3577826 0.92 EGFR (0.73) EGFRERBB2JAK3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed