SCHEMBL4744316

SCHEMBL4744316

CCC(C)Cn1c(-c2cc(OCCCOC)ccc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDE10A Q9Y233 2/20 0.31
MET P08581 1/20 0.31
MDM2 Q00987 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
USP1 O94782 2/20 0.30
LYN P07948 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
SCHEMBL4741763 0.91 KDM4E (0.35) PDE2APOLBSMN1; SMN2USP1LYN
SCHEMBL4742985 0.85 USP1 (0.36) MDM2USP1
SCHEMBL4743760 0.84 USP1 (0.32) POLBMAPTMETMDM2USP1
SCHEMBL4485590 0.80 TP53 (0.33) POLBTP53MAPTSMN1; SMN2MDM2
SCHEMBL3993899 0.80 TP53 (0.33) POLBTP53MAPTSMN1; SMN2MDM2
SCHEMBL4489726 0.79 KDM4E (0.30) SMN1; SMN2
SCHEMBL4482238 0.78 LYN (0.32) MAPTLYN
SCHEMBL4489281 0.77 KCNH2 (0.34) SMN1; SMN2USP1
SCHEMBL4484643 0.77 WEE1 (0.30)
SCHEMBL4742187 0.76 USP1 (0.33) USP1

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