SCHEMBL4743760

SCHEMBL4743760

CCC(C)Cn1c(-c2c(F)ccc(OCCCOC)c2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MET P08581 1/20 0.31
MDM2 Q00987 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4913222 0.91 PDPK1 (0.32)
SCHEMBL4742985 0.88 USP1 (0.36) USP1MDM2
SCHEMBL4744316 0.84 PDE2A (0.33) USP1METMDM2MAPTPOLB
SCHEMBL3993899 0.80 TP53 (0.33) MDM2MAPTPOLB
SCHEMBL4485590 0.80 TP53 (0.33) MDM2MAPTPOLB
SCHEMBL3986102 0.80 USP1 (0.31) USP1
SCHEMBL4742187 0.79 USP1 (0.33) USP1
SCHEMBL4489281 0.79 KCNH2 (0.34) USP1
SCHEMBL4481630 0.77 ACLY (0.31)
SCHEMBL4492304 0.77 ACLY (0.31)

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
WO-2008107398-A2 PYRAZINE COMPOUNDS BASF SE (DE) 2008-09-12 WO disclosed