SCHEMBL2154971

SCHEMBL2154971

CCn1cnc2c(N)nc(OCP(=O)(O)O)nc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.56
▸ CCNB1 P14635 2/20 0.56
▸ CCNE1 P24864 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CYP3A4 P08684 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ ADORA2A P29274 4/20 0.47
▸ ADORA1 P30542 3/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ ADORA2B P29275 2/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.42
▸ PNP P00491 4/20 0.42
▸ HPRT1 P00492 4/20 0.42
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL8335722 0.90 FGFR1 (0.51) CDK1CCNB1CCNE1CDK2CYP3A4
SCHEMBL28083709 0.80 CDK1 (0.63) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161136 0.74 ADORA2A (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21533660 0.74 CDK1 (0.56) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL8767031 0.73 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161691 0.72 ADORA2A (0.63) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5164664 0.72 ADORA2A (0.61) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15354451 0.71 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161756 0.71 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3931613 0.71 TLR7 (0.49) CYP3A4PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343056-A1 Producing stable adefovir dipivoxil solid dispersions Abdi Ibrahim Ilac Sanayi Ve Ticaret Anonim Sirketi (TR) 2011-07-13 — — EP disclosed
WO-2011080704-A1 PRODUCING STABLE ADEFOVIR DIPIVOXIL SOLID DISPERSIONS IN AMORPHOUS STATE ABDI IBRAHIM ILAC SANAYI VE TICARET ANONIM SIRKETI (TR) 2011-07-07 — — WO disclosed
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