SCHEMBL26217256

SCHEMBL26217256

CC(NC(=O)OCCCCn1cnc2c(N)ccnc21)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ NSD3 Q9BZ95 1/20 0.37
▸ ENPP2 Q13822 4/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ADA P00813 1/20 0.35
▸ ADCY5 O95622 3/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 1/20 0.33

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
SCHEMBL19575394 0.87 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL19575471 0.87 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL20974516 0.87 NSD3 (0.53) NSD2NSD3ADCY5
SCHEMBL19575466 0.85 CDK1 (0.40) NR3C1NSD2NSD3HRH4HRH3
SCHEMBL26212075 0.85 CDK1 (0.40) NR3C1NSD2NSD3HRH4HRH3
SCHEMBL26224018 0.80 P2RY1 (0.42) —
SCHEMBL20973538 0.79 LMNA (0.53) NSD3ADCY5
SCHEMBL20972815 0.78 ADCY5 (0.51) NSD3ADCY5ALDH1A1
SCHEMBL19575403 0.78 ADCY5 (0.51) NSD3ADCY5ALDH1A1
SCHEMBL20975139 0.78 NSD3 (0.57) NSD2NSD3ADCY5

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-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
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