SCHEMBL30510440

SCHEMBL30510440

[2H]C(C=CC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)ncnc2cc1OC1CCCC1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ERBB2 P04626 4/20 0.48
ERBB4 Q15303 3/20 0.48
JAK3 P52333 1/20 0.46
SOS1 Q07889 1/20 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
SCHEMBL185491 0.93 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL232374 0.93 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL29623515 0.93 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL232373 0.93 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL1190779 0.92 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL1190783 0.92 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL1190781 0.92 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL1191361 0.84 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL1191357 0.84 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL1191359 0.84 EGFR (0.58) EGFRERBB2ERBB4

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
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