SCHEMBL28365636

SCHEMBL28365636

O=C(Nc1ccc2c(c1)N(C(=O)O)CCO2)c1ccc2cc3n(c2c1)CCNC3=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.62
▸ RPS6KA2 Q15349 15/20 0.58
▸ RPS6KA3 P51812 7/20 0.58

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
SCHEMBL16101785 0.92 MAPKAPK2 (0.75) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL17361103 0.88 MAPKAPK2 (0.55) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL17368554 0.87 RPS6KA2 (0.55) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL17361108 0.86 MAPKAPK2 (0.57) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL16123467 0.86 MAPKAPK2 (0.57) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL3084607 0.79 RPS6KA2 (0.88) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL16101276 0.77 MAPKAPK2 (1.00) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL16123119 0.75 MAPKAPK2 (0.77) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL16101147 0.74 MAPKAPK2 (0.52) MAPKAPK2RPS6KA2RPS6KA3
SCHEMBL12598199 0.74 RPS6KA2 (1.00) MAPKAPK2RPS6KA2RPS6KA3

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-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
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