SCHEMBL29623440

SCHEMBL29623440

COCCCNC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.69
ERBB2 P04626 5/20 0.69

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
SCHEMBL175538 1.00 EGFR (0.69) EGFRERBB2
SCHEMBL1446626 0.96 EGFR (0.71) EGFRERBB2
SCHEMBL1446832 0.91 EGFR (0.74) EGFRERBB2
SCHEMBL4419433 0.90 EGFR (0.71) EGFRERBB2
SCHEMBL175618 0.88 EGFR (0.73) EGFRERBB2
SCHEMBL29623608 0.88 EGFR (0.73) EGFRERBB2
SCHEMBL4883905 0.88 ERBB2 (0.82) EGFRERBB2
SCHEMBL5904600 0.88 EGFR (0.70) EGFRERBB2
SCHEMBL4428969 0.88 ERBB2 (0.68) EGFRERBB2
SCHEMBL1446357 0.88 EGFR (0.77) EGFRERBB2

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