SCHEMBL30979370

SCHEMBL30979370

CN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCNB1 P14635 1/20 0.36
CCR6 P51684 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TGM2 P21980 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SENP1 Q9P0U3 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
BRD4 O60885 1/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4490910 1.00 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490906 1.00 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4481828 0.92 CCNB2 (0.33) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4481832 0.92 CCNB2 (0.33) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4485408 0.91 LRRK2 (0.37) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4485404 0.91 LRRK2 (0.37) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4491116 0.91 EGFR (0.40) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4491110 0.91 EGFR (0.40) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL3158717 0.91 BACE1 (0.38) BACE1ALDH1A1SENP1HTTSMN1; SMN2
SCHEMBL3158729 0.91 BACE1 (0.38) BACE1ALDH1A1SENP1HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed