SCHEMBL28087693

SCHEMBL28087693

CC(C)(C)OC(=O)Nc1ccc2cnn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ITK Q08881 1/20 0.46
ACSS2 Q9NR19 1/20 0.45
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
DYRK1A Q13627 2/20 0.43
CHEK2 O96017 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PAK1 Q13153 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
GSK3B P49841 2/20 0.43
EEF2K O00418 1/20 0.43
MAP4K4 O95819 1/20 0.43
CLK2 P49760 1/20 0.43
PRKX P51817 1/20 0.43
NEK4 P51957 1/20 0.43
PRKG2 Q13237 1/20 0.43
PKN2 Q16513 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43

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
SCHEMBL28087712 0.90 EGFR (0.55) EGFRITKACSS2ROCK2ROCK1
SCHEMBL28998317 0.85 ACSS2 (0.49) ACSS2DYRK1AGSK3BCA12CA1
SCHEMBL30781118 0.84 EGFR (0.43) EGFRITKROCK2ROCK1DYRK1A
SCHEMBL6171890 0.82 MEN1 (0.50) EGFRITK
SCHEMBL6168670 0.82 EGFR (0.43) EGFRITKROCK2ROCK1DYRK1A
SCHEMBL6168126 0.81 PTPN11 (0.43) EGFRITKROCK2ROCK1DYRK1A
SCHEMBL15533551 0.80 HTR2A (0.45) EGFRITKROCK2ROCK1DYRK1A
SCHEMBL18136169 0.80 ACSS2 (0.44) EGFRITKACSS2DYRK1AGSK3B
SCHEMBL9796 0.79 KMO (0.46) EGFRITKROCK2ROCK1DYRK1A
SCHEMBL1032516 0.79 TAOK1 (0.50) EGFRITKROCK2ROCK1DYRK1A

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-106170486-B Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2019-01-15 CN disclosed
CN-106170486-A Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2016-11-30 CN disclosed