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Sugi Predict / Compounds / SCHEMBL29261288

SCHEMBL29261288

SCHEMBL29261288

CC(C)N(C)c1cc2c(c(CN(C)C(=O)O)n1)CN(c1cccc(-c3nnc4n3C(C(F)(F)F)CCC4)n1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.62
▸ LCP2 Q13094 4/20 0.62
▸ RPS6KA2 Q15349 3/20 0.61
▸ PRKD2 Q9BZL6 3/20 0.61

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
SCHEMBL29261282 0.91 MAP4K1 (0.72) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261232 0.89 MAP4K1 (0.69) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261227 0.89 MAP4K1 (0.69) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261312 0.89 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261384 0.89 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25100128 0.89 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL30233177 0.89 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261309 0.89 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261339 0.88 LCP2 (0.78) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261226 0.87 LCP2 (0.64) MAP4K1LCP2RPS6KA2PRKD2

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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