SCHEMBL5032572

SCHEMBL5032572

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 15/20 0.45
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
EPHX2 P34913 2/20 0.37
FPR2 P25090 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
SCHEMBL5032665 0.93 KIF18A (0.46) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5039084 0.92 KIF18A (0.44) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5035007 0.91 NTRK1 (0.41) KDM4EHTTKMT2AMAPK1EPHX2
SCHEMBL5036088 0.90 CA12 (0.42) KDM4EHTTKMT2AMAPK1
SCHEMBL5039355 0.89 KIF18A (0.47) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5041107 0.88 KIF18A (0.49) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5035008 0.87 KDM4E (0.51) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5041408 0.85 KIF18A (0.45) KIF18AKDM4EHTTKMT2A
SCHEMBL5035239 0.82 KIF18A (0.48) KIF18AKDM4EHTTKMT2A
SCHEMBL5036150 0.82 KIF18A (0.45) 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