SCHEMBL25920182

SCHEMBL25920182

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.85
RAF1 P04049 5/20 0.85
MAPK3 P27361 1/20 0.85
MAPK1 P28482 1/20 0.85
SRC P12931 7/20 0.73
WEE2 P0C1S8 2/20 0.70
WEE1 P30291 2/20 0.70
PKMYT1 Q99640 2/20 0.70
ABL1 P00519 2/20 0.68
EGFR P00533 2/20 0.68
SYK P43405 2/20 0.68
FLT1 P17948 1/20 0.68
KDR P35968 1/20 0.68
FYN P06241 2/20 0.68
STK25 O00506 1/20 0.67
CIT O14578 1/20 0.67
RIOK3 O14730 1/20 0.67
MAP2K7 O14733 1/20 0.67
CHEK1 O14757 1/20 0.67
CASK O14936 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
SCHEMBL31748812 0.94 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL346145 0.92 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920207 0.92 MAP2K1 (0.83) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920314 0.90 SRC (0.80) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4956978 0.89 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920410 0.89 MAP2K1 (0.68) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920361 0.88 SRC (0.80) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920191 0.87 MAP2K1 (0.84) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920940 0.87 MAP2K1 (0.72) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4954018 0.87 MAP2K1 (0.72) 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