SCHEMBL30233557

SCHEMBL30233557

CNC(=O)OCc1nc(N2CC(C)CC(C)C2)cc2c1C(C(C)(C)C)N(c1cccc(-c3nnc4n3C(C)(C)CC4)n1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 4/20 0.37
▸ MAP4K1 Q92918 7/20 0.32
▸ RPS6KA2 Q15349 2/20 0.31
▸ PRKD2 Q9BZL6 2/20 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
SCHEMBL30232975 0.90 MAP3K5 (0.37) MAP3K5MAP4K1RPS6KA2PRKD2
SCHEMBL30232929 0.85 MAP4K1 (0.45) MAP4K1RPS6KA2PRKD2
SCHEMBL30232835 0.85 LCP2 (0.42) MAP3K5MAP4K1RPS6KA2PRKD2
SCHEMBL30233176 0.85 MAP3K5 (0.36) MAP3K5MAP4K1RPS6KA2PRKD2
SCHEMBL30233255 0.75 MAP4K1 (0.47) MAP3K5MAP4K1RPS6KA2PRKD2
SCHEMBL25099618 0.74 MAP4K1 (0.57) MAP4K1RPS6KA2PRKD2
SCHEMBL30232990 0.74 MAP4K1 (0.57) MAP4K1RPS6KA2PRKD2
SCHEMBL30232851 0.74 MAP4K1 (0.49) MAP4K1RPS6KA2PRKD2
SCHEMBL30233057 0.74 MAP4K1 (0.45) MAP3K5MAP4K1RPS6KA2PRKD2
SCHEMBL30232948 0.72 MAP4K1 (0.58) MAP4K1RPS6KA2PRKD2

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
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
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