SCHEMBL21075868

SCHEMBL21075868

Bc1cc2c(s1)C(C)(C)N(C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
BCHE P06276 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL17837270 0.84 BUB1 (0.34) BUB1BCHEELANE
SCHEMBL17837259 0.78 USP30 (0.40) BUB1
SCHEMBL21075867 0.77
SCHEMBL17873707 0.74 CDC7 (0.35) BUB1
SCHEMBL17837206 0.73 MAPK3 (0.37)
SCHEMBL24837240 0.69
SCHEMBL30900413 0.69 ELANE (0.33) BUB1ELANE
SCHEMBL25234196 0.68 CDK1 (0.39) BUB1
SCHEMBL17141679 0.68 CDK1 (0.39) BUB1
SCHEMBL30900373 0.67 RORC (0.33) BUB1ELANE

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
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed