SCHEMBL28885366

SCHEMBL28885366

O=C(O)N1CCc2[nH]c3c(c2C1=O)CCc1cnc(Cl)cc1-3

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.40
BUB1 O43683 1/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
SCHEMBL16123282 0.85 BUB1 (0.45) MAPKAPK2BUB1
SCHEMBL31529824 0.85 BUB1 (0.45) MAPKAPK2BUB1
SCHEMBL28369828 0.81 MAPKAPK2 (0.38) MAPKAPK2BUB1
SCHEMBL3579503 0.75 MAPKAPK2 (0.66) MAPKAPK2
SCHEMBL1908915 0.72 MAPKAPK2 (0.67) MAPKAPK2BUB1
SCHEMBL1908925 0.71 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL1909058 0.70 MAPKAPK2 (0.40) MAPKAPK2BUB1
SCHEMBL1908920 0.70 MAPKAPK2 (0.62) MAPKAPK2BUB1
SCHEMBL17847539 0.70 BUB1 (0.43) MAPKAPK2BUB1
SCHEMBL1908916 0.69 MAPKAPK2 (0.56) MAPKAPK2BUB1

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