SCHEMBL9828669

SCHEMBL9828669

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HBB P68871 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPRT1 P00492 5/20 0.43
▸ PNP P00491 3/20 0.43
▸ BLM P54132 2/20 0.43
▸ TSHR P16473 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
▸ HSD17B10 Q99714 1/20 0.43
▸ PDE3A Q14432 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9827038 0.90 BLM (0.52) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL10436187 0.86 MEN1 (0.48) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL10436161 0.85 MEN1 (0.47) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL9827521 0.80 KDM4E (0.32) MEN1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL11091666 0.78 XDH (0.49) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL9827214 0.77 KDM4E (0.49) HSD17B10ALDH1A1
SCHEMBL9828688 0.74 MEN1 (0.49) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL7814355 0.74 MEN1 (0.76) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL10436189 0.73 MEN1 (0.49) MEN1KMT2AHBBMAPK1HPRT1
SCHEMBL10775468 0.73 PNP (0.56) MEN1KMT2AHBBHPRT1PNP

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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