SCHEMBL5041408

SCHEMBL5041408

CC(C)(CO)NS(=O)(=O)c1cccc(NC(=O)Oc2cnn3c(C4CC4)cc(-c4ccc(Cl)cc4)nc23)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 18/20 0.45
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5039084 0.93 KIF18A (0.44) KIF18AKDM4EHTTKMT2A
SCHEMBL5032665 0.92 KIF18A (0.46) KIF18AKDM4EHTTKMT2A
SCHEMBL5039327 0.90 KIF18A (0.47) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5036074 0.89 KIF18A (0.46) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5032617 0.88 TP53 (0.36) KIF18AKDM4EHTTKMT2A
SCHEMBL5041449 0.88 KIF18A (0.46) KIF18AKDM4EHTTKMT2A
SCHEMBL5044973 0.88 KIF18A (0.50) KIF18AKDM4EHTTKMT2A
SCHEMBL5036557 0.87 KMT2A (0.41) KIF18AKDM4EHTTKMT2A
SCHEMBL5034907 0.87 KIF18A (0.45) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5039082 0.87 KDM4E (0.49) KIF18AKDM4EHTTKMT2A

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-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed