SCHEMBL25043369

SCHEMBL25043369

COc1ccc(C2=CN(C)BC(N)=N2)cc1NSC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19930634 0.67 BRD4 (0.47) BRD4KDM4EMEN1ALDH1A1LMNA
SCHEMBL21564965 0.63 ACHE (0.52) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL18559186 0.63 GAA (0.54) MEN1ALDH1A1LMNATP53KMT2A
SCHEMBL19930682 0.63 BRD4 (0.53) BRD4
SCHEMBL19930676 0.61 BRD4 (0.60) BRD4KMT2A
SCHEMBL19930835 0.60 BRD4 (0.71) BRD4SMN1; SMN2
SCHEMBL19931487 0.59 BRD4 (0.73) BRD4
SCHEMBL4459254 0.52 KDM4E (0.59) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL23033418 0.52 LRRK2 (0.55) BRD4MEN1ALDH1A1LMNATP53
SCHEMBL23033356 0.52 LRRK2 (0.55) MEN1KMT2A

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
EP-4134364-A2 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2023-02-15 — — EP disclosed
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