SCHEMBL6427905

SCHEMBL6427905

Nc1ncnc2c1ncn2C1C=CC(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.56
▸ PI4KA P42356 3/20 0.54
▸ PI4K2B Q8TCG2 3/20 0.54
▸ PI4K2A Q9BTU6 3/20 0.54
▸ PI4KB Q9UBF8 3/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ADCY5 O95622 11/20 0.53
▸ AHCY P23526 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30897077 0.83 PDE4A (0.39) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30897072 0.83 PDE4A (0.39) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6427683 0.75 ADORA3 (0.48) ADORA3BLM
SCHEMBL12280365 0.74 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30166469 0.74 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1934441 0.74 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8660508 0.73 ADCY5 (0.64) ADORA2AADCY5AHCY
SCHEMBL9147328 0.73 ADCY5 (0.64) ADORA2AADCY5AHCY
SCHEMBL28984637 0.72 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8885831 0.72 ADORA2A (0.60) ADORA2API4KAPI4K2BPI4K2API4KB

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
EP-1050525-B1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS TAKARA BIO INC (JP) 2005-08-31 — — EP claimed
US-6809091-B1 RHEUMATISM; 2-(3,4-DIHYDROXY-1-BUTENYL)-4-(2-FORMYLVINYL)-1,3-DIOXOLANE; 4-(9-GUANINYL)-2-CYCLOPENTEN-1-ONE TAKARA BIO INC. (JP) 2004-10-26 — — US claimed
EP-1050525-A1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS Takara Shuzo Co, Ltd. (JP) 2000-11-08 — — EP claimed
EP-1050525-B1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS TAKARA BIO INC (JP) 2005-08-31 — — EP disclosed
US-6809091-B1 RHEUMATISM; 2-(3,4-DIHYDROXY-1-BUTENYL)-4-(2-FORMYLVINYL)-1,3-DIOXOLANE; 4-(9-GUANINYL)-2-CYCLOPENTEN-1-ONE TAKARA BIO INC. (JP) 2004-10-26 — — US disclosed
EP-1170007-A1 REMEDIES Takara Shuzo Co, Ltd. (JP) 2002-01-09 — — EP disclosed
EP-1050525-A1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS Takara Shuzo Co, Ltd. (JP) 2000-11-08 — — EP disclosed
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