SCHEMBL25100256

SCHEMBL25100256

CC(C)N(C)c1cc2c(c(Cl)n1)CN(C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 14/20 0.36
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
RPS6KA2 Q15349 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
LCP2 Q13094 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
SCHEMBL30233742 1.00 MAP4K1 (0.36) MAP4K1PIK3CAMTORRPS6KA2PRKD2
SCHEMBL29261275 0.85 MAP4K1 (0.37) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL30233476 0.82 TLR9 (0.41) PIK3CAMTOR
SCHEMBL30913170 0.82 TLR9 (0.41) PIK3CAMTOR
SCHEMBL30543372 0.82 HSP90AA1 (0.37) PIK3CAMTORPIM1PIM2
SCHEMBL29222584 0.82 HSP90AA1 (0.37) PIK3CAMTORPIM1PIM2
SCHEMBL30913133 0.79 JAK1 (0.39) MAP4K1PIK3CAMTOR
SCHEMBL30232843 0.79 JAK1 (0.39) MAP4K1PIK3CAMTOR
SCHEMBL29261279 0.79 TLR9 (0.40) PIK3CA
SCHEMBL30233026 0.76 JAK1 (0.38) MAP4K1

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-118103369-A Pyridolactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-05-28 CN disclosed
WO-2023030478-A1 PYRIDOLACTAM DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-03-09 WO disclosed