SCHEMBL4794666

SCHEMBL4794666

COc1ccc(OC)c(Nc2nc(C)nc3oc(C)nc23)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ MAP3K5 Q99683 1/20 0.42

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
SCHEMBL14207895 0.78 EGFR (0.52) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL5333345 0.73 MEN1 (0.59) MEN1KMT2ALMNAGAAMAPT
SCHEMBL5461512 0.72 MAPT (0.46) MEN1KMT2ALMNAGAAMAPT
Hydrochloric Acid SCHEMBL5467468 0.71 MAPT (0.45) MEN1KMT2ALMNAGAAMAPT
Hydrochloric Acid SCHEMBL5475286 0.71 MAPT (0.53) MEN1KMT2ALMNAGAAMAPT
SCHEMBL5315120 0.71 CSNK2A1 (0.53) MEN1KMT2ALMNAGAAMAPT
SCHEMBL17837013 0.71 EGFR (0.70) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL7699357 0.68 KMT2A (0.62) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4784607 0.66 FBP1 (0.50) EGFRPDGFRBKDR
SCHEMBL14207910 0.65 LMNA (0.36) LMNAEGFRPDGFRBKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057402-A2 N-ARYL-ISOXAZOLOPYRIMIDIN-4-AMINES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-15 — — WO disclosed
WO-2008057402-A2 N-ARYL-ISOXAZOLOPYRIMIDIN-4-AMINES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-15 — — WO disclosed
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