SCHEMBL20620895

SCHEMBL20620895

C#CCOc1cc2nc(N)nc(NC3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 4/20 0.54
▸ EHMT2 Q96KQ7 5/20 0.53
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.49
▸ SPIN1 Q9Y657 1/20 0.46
▸ PIK3CD O00329 2/20 0.43
▸ KMT5A Q9NQR1 1/20 0.43
▸ EPHA2 P29317 4/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ WHR1 P49842 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ EPHB4 P54760 1/20 0.40

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
SCHEMBL20620893 1.00 NSD2 (0.54) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL29453051 0.90 KMT5A (0.55) NSD2EHMT2KDM1ARCOR1KMT5A
SCHEMBL20620934 0.90 KMT5A (0.55) NSD2EHMT2KDM1ARCOR1KMT5A
SCHEMBL22084192 0.90 KMT5A (0.55) NSD2EHMT2KDM1ARCOR1KMT5A
SCHEMBL20620894 0.86 NSD2 (0.53) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL20620897 0.86 NSD2 (0.53) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL20621265 0.80 KMT5A (0.62) NSD2EHMT2KMT5AWHR1
SCHEMBL29453059 0.80 KMT5A (0.62) NSD2EHMT2KMT5AWHR1
SCHEMBL22026560 0.79 EHMT2 (0.58) EHMT2WHR1
SCHEMBL20602882 0.79 EHMT2 (0.58) EHMT2WHR1

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-2019006322-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-03 — — WO disclosed
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