SCHEMBL4736451

SCHEMBL4736451

CC(C)Oc1cc(-c2nc(N=CN(C)C)nc3cc[nH]c23)c(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14208261 1.00 L3MBTL1 (0.33) L3MBTL1GAAKDM4EMEN1ALDH1A1
SCHEMBL14208995 0.83 L3MBTL1 (0.38) L3MBTL1
SCHEMBL4736465 0.83 L3MBTL1 (0.33) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL4736459 0.83 L3MBTL1 (0.33) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL4735575 0.79 GAA (0.39) GAAMEN1ALDH1A1KMT2A
SCHEMBL4736448 0.77 GAA (0.32) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14207901 0.72 L3MBTL1 (0.40) L3MBTL1GAAKDM4EMEN1ALDH1A1
SCHEMBL4732637 0.72 L3MBTL1 (0.40) L3MBTL1GAAKDM4EMEN1ALDH1A1
SCHEMBL4732639 0.72 L3MBTL1 (0.40) L3MBTL1GAAKDM4EMEN1ALDH1A1
SCHEMBL4735480 0.72 L3MBTL1 (0.32) L3MBTL1KDM4EALDH1A1

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-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
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