SCHEMBL25920191

SCHEMBL25920191

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCCl

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.84
RAF1 P04049 6/20 0.84
MAPK3 P27361 1/20 0.75
MAPK1 P28482 1/20 0.75
SRC P12931 2/20 0.64
EGFR P00533 4/20 0.63
ERBB2 P04626 4/20 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
SCHEMBL2975196 0.96 MAP2K1 (0.84) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4954921 0.94 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920307 0.93 MAP2K1 (0.72) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920402 0.92 MAP2K1 (0.70) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL6382750 0.92 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL14116955 0.91 MAP2K1 (0.72) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL13915772 0.89 MAP2K1 (0.69) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920241 0.89 SRC (0.66) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL14116956 0.89 EGFR (0.69) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL13915779 0.88 EGFR (0.68) MAP2K1RAF1MAPK3MAPK1SRC

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
WO-2023141635-A2 HER3 LIGANDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-27 WO disclosed