SCHEMBL31425540

SCHEMBL31425540

CC(=O)c1nn(C(=O)OC(C)(C)C)c2cnc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
FAAH O00519 1/20 0.34
MAP2K4 P45985 1/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CCR9 P51686 2/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KA3 P51812 1/20 0.30
PAK1 Q13153 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL24933928 0.85 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL19960725 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL31425526 0.83 ELANE (0.35) GABRG2GABRB3GABRA5FAAHPOLB
SCHEMBL31425520 0.78 GRM5 (0.34) GABRG2GABRB3GABRA5POLB
SCHEMBL19965543 0.77 MAP2K4 (0.41) GABRG2GABRB3GABRA5MAP2K4ROCK2
SCHEMBL19950249 0.76 TTK (0.42) MAP2K4DYRK1A
SCHEMBL29746390 0.76 TTK (0.42) MAP2K4DYRK1A
SCHEMBL31425505 0.76 CHRM4 (0.40) GABRG2GABRB3GABRA5GABRA1CCR9
SCHEMBL2859991 0.75 ELANE (0.49) MAP2K4ELANE
SCHEMBL24591286 0.74 MAP2K4 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2

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-119562953-A Compound with kinase inhibition function and preparation and application thereof 上海轶诺药业有限公司 2025-03-04 CN disclosed