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Sugi Predict / Compounds / SCHEMBL29261367

SCHEMBL29261367

SCHEMBL29261367

CC1CC(C)CN(c2cc3c(c(CN(C)C(=O)O)n2)CN(c2cccc(-c4nnc5n4C(C)(C)CC5)n2)C3=O)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 18/20 0.45
▸ RPS6KA2 Q15349 2/20 0.42
▸ PRKD2 Q9BZL6 2/20 0.42
▸ LCP2 Q13094 1/20 0.42

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
SCHEMBL29261332 0.89 MAP4K1 (0.47) MAP4K1RPS6KA2PRKD2
SCHEMBL29261376 0.88 MAP4K1 (0.46) MAP4K1RPS6KA2PRKD2
SCHEMBL29261257 0.87 MAP4K1 (0.56) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL29261253 0.87 MAP4K1 (0.56) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL25099618 0.86 MAP4K1 (0.57) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL30232990 0.86 MAP4K1 (0.57) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL29261204 0.86 MAP4K1 (0.45) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL29261353 0.86 MAP4K1 (0.58) MAP4K1RPS6KA2PRKD2
SCHEMBL29261413 0.85 MAP4K1 (0.47) MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL30232929 0.85 MAP4K1 (0.45) MAP4K1RPS6KA2PRKD2LCP2

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
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