SCHEMBL9827521

SCHEMBL9827521

CC(=O)OCCOC(C)(OC(C)C)n1cnc2c(OC(C)C)nc(N)nc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL9827214 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9828669 0.80 MEN1 (0.49) ALDH1A1HSD17B10MEN1TSHRKMT2A
SCHEMBL9827534 0.75 CDK1 (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10648662 0.71 PDE3A (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9827507 0.69 PDE3A (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9828127 0.67 HSP90AA1 (0.35) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10436161 0.67 MEN1 (0.47) ALDH1A1HSD17B10MEN1TSHRKMT2A
SCHEMBL10436187 0.65 MEN1 (0.48) ALDH1A1HSD17B10MEN1TSHRKMT2A
SCHEMBL13746895 0.64 HSP90AA1 (0.38) HSP90AA1HSP90AB1MEN1KMT2ACDK1
SCHEMBL1566104 0.63 FGFR1 (0.56) HSP90AA1HSP90AB1

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-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-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 claimed
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 disclosed
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
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