SCHEMBL29623467

SCHEMBL29623467

COCCN(C)CC=CC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)ncnc2cc1OCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54
ERBB2 P04626 9/20 0.48
JAK3 P52333 2/20 0.46
ERBB4 Q15303 2/20 0.46

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
SCHEMBL175533 1.00 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL232622 1.00 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL232621 1.00 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL380694 0.95 EGFR (0.51) EGFRERBB2
SCHEMBL229680 0.94 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL229679 0.94 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL29623524 0.94 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL225220 0.94 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL232347 0.92 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL196745 0.92 EGFR (0.54) 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-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 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