SCHEMBL5032665

SCHEMBL5032665

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 17/20 0.46
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL5032572 0.93 KIF18A (0.45) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5041408 0.92 KIF18A (0.45) KIF18AKDM4EHTTKMT2A
SCHEMBL5035239 0.90 KIF18A (0.48) KIF18AKDM4EHTTKMT2A
SCHEMBL5035007 0.89 NTRK1 (0.41) KDM4EHTTKMT2AMAPK1RORC
SCHEMBL5035231 0.89 KIF18A (0.35) KIF18AKDM4EHTTKMT2A
SCHEMBL5045480 0.88 KIF18A (0.51) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5039141 0.88 KDM4E (0.49) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5036088 0.87 CA12 (0.42) KDM4EHTTKMT2AMAPK1
SCHEMBL5039084 0.85 KIF18A (0.44) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5041449 0.85 KIF18A (0.46) KIF18AKDM4EHTTKMT2AMAPK1

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