SCHEMBL28326477

SCHEMBL28326477

NCc1cccc(-c2nnn(CO)c2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.47
MAP4K4 O95819 6/20 0.47
PRKACA P17612 6/20 0.47
CDK2 P24941 6/20 0.47
GSK3B P49841 6/20 0.47
ROCK2 O75116 5/20 0.47
CLK4 Q9HAZ1 4/20 0.47
MKNK2 Q9HBH9 4/20 0.47
DAPK3 O43293 4/20 0.47
PRKD3 O94806 4/20 0.47
CLK2 P49760 4/20 0.47
PRKX P51817 4/20 0.47
JAK3 P52333 4/20 0.47
CDK5 Q00535 4/20 0.47
MAP4K2 Q12851 4/20 0.47
CAMK2D Q13557 4/20 0.47
DYRK1A Q13627 4/20 0.47
PKN2 Q16513 4/20 0.47
STK17A Q9UEE5 4/20 0.47
MAP4K5 Q9Y4K4 4/20 0.47

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
SCHEMBL28327753 0.89 TAAR1 (0.47) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28326474 0.82 CDC7 (0.44) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28326481 0.81 CDC7 (0.43) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28327749 0.81 CYP19A1 (0.44) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28327750 0.77 DPP4 (0.51) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28327761 0.74 MAPK14 (0.50) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28326488 0.74 CYP19A1 (0.43) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28147085 0.73 CDC7 (0.45) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL28327746 0.72 CYP2E1 (0.43) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL2898117 0.71 IDO1 (0.65) CDC7MAP4K4PRKACACDK2GSK3B

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-110423239-A 1,3- oxazines and 1,2,3- triazole derivative and its synthetic method and application UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-08 CN claimed
CN-110423239-A 1,3- oxazines and 1,2,3- triazole derivative and its synthetic method and application UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-08 CN disclosed