SCHEMBL9828688

SCHEMBL9828688

CC(=O)OCCOC(COC(C)C)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HPRT1 P00492 12/20 0.48
▸ HBB P68871 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PDE3A Q14432 1/20 0.47
▸ BLM P54132 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ VCP P55072 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ PNP P00491 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL10436189 0.89 MEN1 (0.49) MEN1KMT2AHPRT1HBBMAPK1
SCHEMBL9827056 0.89 BLM (0.53) MEN1KMT2AHPRT1HBBMAPK1
SCHEMBL9827534 0.81 CDK1 (0.37) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL10770108 0.78 HPRT1 (0.60) MEN1KMT2AHPRT1HBBMAPK1
SCHEMBL9827220 0.77 KDM4E (0.52) ALDH1A1HSD17B10
SCHEMBL29325413 0.77 BLM (0.59) MEN1KMT2AHPRT1HBBPDE3A
SCHEMBL5653744 0.77 BLM (0.59) MEN1KMT2AHPRT1HBBPDE3A
SCHEMBL9828664 0.77 PDE3A (0.68) MEN1KMT2AHPRT1HBBMAPK1
SCHEMBL5555699 0.75 HPRT1 (0.51) MEN1KMT2AHPRT1HBBMAPK1
SCHEMBL9828669 0.74 MEN1 (0.49) MEN1KMT2AHPRT1HBBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217207-B1 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 — — EP claimed
EP-0400686-A1 2-Amino-9-[1,3bis-(isopropoxy)-propyl-2-oxymethyl]-purine, its utilization and medicaments containing it HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-05 — — EP disclosed
EP-0217207-A1 2-Amino purines substituted in positions 6 and 9, their use, medicaments containing these purines and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 — — EP disclosed
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