SCHEMBL28024769

SCHEMBL28024769

COCCc1cncc2ccc(C(N)=O)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.44
CDK8 P49336 10/20 0.44
PIM1 P11309 1/20 0.39
NNMT P40261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
APP P05067 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL28024317 0.83 CCNC (0.48) CCNCCDK8PIM1
SCHEMBL28821388 0.80 CCNC (0.44) CCNCCDK8PIM1PDE10ACYP11B2
SCHEMBL15741758 0.78 CCNC (0.46) CCNCCDK8PIM1NNMT
SCHEMBL28148153 0.77 PDE10A (0.44) CCNCCDK8PDE10ACYP11B1CYP11B2
SCHEMBL28024785 0.75 CCNC (0.43) CCNCCDK8PIM1
SCHEMBL4729623 0.74 P2RX7 (0.44) CCNCCDK8ALDH1A1
SCHEMBL28024329 0.74 CCNC (0.43) CCNCCDK8PIM1
SCHEMBL10138393 0.72 CCNC (0.54) CCNCCDK8APP
SCHEMBL15743010 0.72 CCNC (0.61) CCNCCDK8PIM1CYP11B1CYP11B2
SCHEMBL1318925 0.71 CCNC (0.39) CCNCCDK8

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
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN claimed
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN disclosed