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SCHEMBL5034907

SCHEMBL5034907

CCCc1cc(-c2ccc(Cl)cc2)nc2c(OC(=O)Nc3cccc(S(=O)(=O)NC(C)(C)CO)c3)cnn12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 15/20 0.45
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PSD A5PKW4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL5036074 0.94 KIF18A (0.46) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5039327 0.90 KIF18A (0.47) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5035314 0.88 KMT2A (0.39) KIF18AKDM4EHTTKMT2ACA2
SCHEMBL5041449 0.88 KIF18A (0.46) KIF18AKDM4EHTTKMT2APSD
SCHEMBL5041480 0.88 KIF18A (0.50) KIF18AKDM4EHTTKMT2ACA2
SCHEMBL5036571 0.88 CA2 (0.47) KDM4EHTTKMT2ACA2CA9
SCHEMBL5041408 0.87 KIF18A (0.45) KIF18ABRD4KDM4EHTTKMT2A
SCHEMBL5039082 0.87 KDM4E (0.49) KIF18AKDM4EHTTKMT2AMAPK1
SCHEMBL5039326 0.82 KMT2A (0.40) KIF18AKDM4EHTTKMT2ACA2
SCHEMBL5048260 0.82 KIF18A (0.51) KIF18AKDM4EHTTKMT2ACA2

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