SCHEMBL25920375

SCHEMBL25920375

COc1cc2c(Nc3cc(OC)c(Oc4ccccc4)cc3Cl)c(C#N)cnc2cc1OCCCCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.67
ABL1 P00519 5/20 0.65
BCR P11274 5/20 0.65
MAP2K1 Q02750 3/20 0.61
RAF1 P04049 2/20 0.61
STK25 O00506 1/20 0.61
CIT O14578 1/20 0.61
RIOK3 O14730 1/20 0.61
MAP2K7 O14733 1/20 0.61
CHEK1 O14757 1/20 0.61
CASK O14936 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
MAP3K13 O43283 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
NUAK1 O60285 1/20 0.61
JAK2 O60674 1/20 0.61
ROCK2 O75116 1/20 0.61
ULK1 O75385 1/20 0.61

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
SCHEMBL25920155 0.93 SRC (0.74) SRCABL1BCRMAP2K1RAF1
SCHEMBL25920241 0.91 SRC (0.66) SRCABL1BCRMAP2K1RAF1
SCHEMBL25920361 0.88 SRC (0.80) SRCABL1BCRMAP2K1RAF1
SCHEMBL2886333 0.88 SRC (0.85) SRCABL1BCRMAP2K1STK25
SCHEMBL29618203 0.88 SRC (0.85) SRCABL1BCRMAP2K1STK25
Hydrochloric Acid SCHEMBL19207239 0.87 SRC (0.84) SRCABL1BCRMAP2K1STK25
SCHEMBL25920307 0.86 MAP2K1 (0.72) SRCMAP2K1RAF1EGFRERBB2
SCHEMBL25920191 0.86 MAP2K1 (0.84) SRCMAP2K1RAF1EGFRERBB2
SCHEMBL6186881 0.84 SRC (0.85) SRCABL1BCRMAP2K1STK25
SCHEMBL4954921 0.83 MAP2K1 (0.73) SRCMAP2K1RAF1EGFRERBB2

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