SCHEMBL3986102

SCHEMBL3986102

CCC(C)Cn1c(-c2ccc(OCCN(C)C)c(F)c2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4742187 0.90 USP1 (0.33) USP1KDM4E
SCHEMBL4913222 0.86 PDPK1 (0.32)
SCHEMBL4742985 0.83 USP1 (0.36) USP1
SCHEMBL4482238 0.83 LYN (0.32)
SCHEMBL4741763 0.81 KDM4E (0.35) USP1KDM4E
SCHEMBL4743760 0.80 USP1 (0.32) USP1
SCHEMBL4490917 0.79 BPTF (0.31) KDM4E
SCHEMBL4744316 0.75 PDE2A (0.33) USP1
SCHEMBL4489281 0.73 KCNH2 (0.34) USP1
SCHEMBL4485590 0.73 TP53 (0.33)

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-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO disclosed