SCHEMBL6046332

SCHEMBL6046332

N=C(N)c1ncc2nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1721310 0.82 GDA (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4520168 0.79 HDAC6 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5349497 0.76 HDAC6 (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31269349 0.76 HSD17B10 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4436717 0.76 HSD17B10 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7771667 0.75 SLC2A1 (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7035226 0.73 — —
SCHEMBL27486869 0.72 ABL1 (0.36) KDM4EALDH1A1HPGD
SCHEMBL6046334 0.71 ALDH1A1 (0.55) KDM4EALDH1A1
SCHEMBL6060475 0.71 CTNNB1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161519-A1 PURINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
EP-2953470-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-16 — — EP disclosed
WO-2014123882-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-14 — — WO disclosed
US-20060199198-A1 Polymorphic DNA fragments and uses thereof SOLEXA, INC., 2006-09-07 — — US disclosed
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