SCHEMBL18543643

SCHEMBL18543643

CCP(CC)COC(C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.63
ADORA2A P29274 5/20 0.59
ADORA1 P30542 3/20 0.59
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
CYP2D6 P10635 7/20 0.54
ADORA2B P29275 1/20 0.52
AHCY P23526 2/20 0.51
FAP Q12884 1/20 0.51
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL18543642 1.00 CYP3A4 (0.63) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL21359605 0.86 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL20041166 0.86 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15045890 0.86 CYP3A4 (0.70) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL28062940 0.86 CYP3A4 (0.60) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15257613 0.85 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL28962216 0.84 CYP3A4 (0.61) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL16229939 0.83 CYP3A4 (0.60) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL3305032 0.82 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL608687 0.82 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780348-B1 PROCESS FOR THE PREPARATION OF TENOFOVIR LAURUS LABS PRIVATE LTD (IN) 2017-03-01 EP disclosed