SCHEMBL6577280

SCHEMBL6577280

CC(C)=CCc1ncnc2nc(N)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ NUDT1 P36639 3/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PI4KA P42356 4/20 0.34
▸ PI4K2B Q8TCG2 4/20 0.34
▸ PI4K2A Q9BTU6 4/20 0.34
▸ PI4KB Q9UBF8 4/20 0.34
▸ PNP P00491 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL3802729 0.87 TSHR (0.40) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL14780258 0.76 CDK2 (0.61) CYP1A2CDK2NUDT1PI4KAPI4K2B
SCHEMBL5667619 0.72 ADORA2A (0.43) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL4455866 0.72 PI4KA (0.38) CYP1A2CDK2NUDT1ADORA2AADORA1
SCHEMBL6141622 0.70 PI4KA (0.35) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL108321 0.69 LTB4R (0.55) PI4KAPI4K2BPI4K2API4KBPNP
SCHEMBL320848 0.69 NUDT1 (0.43) CYP1A2NUDT1ADORA2AADORA1PI4KA
SCHEMBL42314 0.68 ADORA2A (0.66) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL29400753 0.68 ADORA2A (0.66) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL14779867 0.68 TSHR (0.64) CYP1A2CDK2NUDT1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478000-A PRETREATMENT SOAKING IN BENZYLADENINE PLANT RESOURCES INSTITUTE (US) 1984-10-23 — — US claimed
EP-0584068-B2 METHOD AND COMPOSITION FOR AMELIORATING THE ADVERSE EFFECTS OF AGING SENETEK PLC (US) 2004-04-28 — — EP disclosed
EP-0584068-B1 METHOD AND COMPOSITION FOR AMELIORATING THE ADVERSE EFFECTS OF AGING SENETEK PLC (US) 1999-10-06 — — EP disclosed
EP-0584068-A4 — — 1994-04-06 — — EP disclosed
EP-0584068-A1 METHOD AND COMPOSITION FOR AMELIORATING THE ADVERSE EFFECTS OF AGING SENETEK, PLC (US) 1994-03-02 — — EP disclosed
WO-1992020341-A1 METHOD AND COMPOSITION FOR AMELIORATING THE ADVERSE EFFECTS OF AGING SENETEK, PLC (US) 1992-11-26 — — WO disclosed
US-4478000-A PRETREATMENT SOAKING IN BENZYLADENINE PLANT RESOURCES INSTITUTE (US) 1984-10-23 — — US disclosed
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