SCHEMBL30233177

SCHEMBL30233177

CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3C(C(F)(F)F)CCC4)n1)C2=O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.79
▸ LCP2 Q13094 5/20 0.79
▸ RPS6KA2 Q15349 2/20 0.77
▸ PRKD2 Q9BZL6 2/20 0.77

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
SCHEMBL25100128 1.00 MAP4K1 (0.79) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL30233083 0.90 MAP4K1 (0.92) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25100154 0.90 MAP4K1 (0.92) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25099340 0.90 LCP2 (0.91) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25099429 0.90 LCP2 (0.91) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25100161 0.90 LCP2 (0.91) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL30232816 0.89 MAP4K1 (0.63) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL29261288 0.89 MAP4K1 (0.62) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL23987793 0.88 MAP4K1 (1.00) MAP4K1LCP2RPS6KA2PRKD2
SCHEMBL25099570 0.88 LCP2 (0.90) 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 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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