SCHEMBL30668133

SCHEMBL30668133

C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnc(C(=O)NC5(C)CN(C)C5)n4C)nc3n21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 19/20 0.57
▸ RPS6KA2 Q15349 3/20 0.53
▸ RPS6KA1 Q15418 1/20 0.51
▸ RPS6KA6 Q9UK32 1/20 0.51

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
SCHEMBL30668142 1.00 RPS6KA3 (0.57) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL30668128 0.78 RPS6KA3 (0.60) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1991934 0.73 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL12595353 0.73 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1991945 0.72 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL14973148 0.72 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1982846 0.72 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL30137600 0.72 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1982725 0.72 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1981787 0.72 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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
CN-117186097-A Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative 上海科恩泰生物医药科技有限公司 2023-12-08 — — CN disclosed
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