SCHEMBL28809197

SCHEMBL28809197

CN(C)c1ncc(-c2ccc3[nH]cc(C(=O)Nc4ccncc4)c3c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 9/20 0.50
TBK1 Q9UHD2 9/20 0.50
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
NR4A2 P43354 1/20 0.46
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.43
NHERF1 O14745 2/20 0.43
HTR2C P28335 1/20 0.42
PIM1 P11309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKCI P41743 1/20 0.41

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
SCHEMBL29753944 1.00 IKBKE (0.50) IKBKETBK1PRKAB2PRKAG1PRKAA2
SCHEMBL29754041 0.81 IKBKE (0.60) IKBKETBK1NR4A2ROCK1ROCK2
SCHEMBL28809170 0.81 IKBKE (0.60) IKBKETBK1NR4A2ROCK1ROCK2
SCHEMBL23534329 0.81 DYRK1A (0.58) PRKAA1
SCHEMBL29754046 0.79 IKBKE (0.59) IKBKETBK1NR4A2ROCK1
SCHEMBL28809188 0.79 IKBKE (0.59) IKBKETBK1NR4A2ROCK1
SCHEMBL28810253 0.78 IKBKE (0.55) IKBKETBK1NR4A2ROCK1ROCK2
SCHEMBL29754120 0.78 IKBKE (0.55) IKBKETBK1NR4A2ROCK1ROCK2
SCHEMBL28809248 0.77 IKBKE (0.50) IKBKETBK1NR4A2ROCK1ROCK2
SCHEMBL29753935 0.77 IKBKE (0.50) IKBKETBK1NR4A2ROCK1ROCK2

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
CN-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 CN disclosed