SCHEMBL4741763

SCHEMBL4741763

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TOP2A P11388 2/20 0.34
BPTF Q12830 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
LYN P07948 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
FGFR1 P11362 2/20 0.32
ESR1 P03372 1/20 0.32
PDE2A O00408 2/20 0.31
SRC P12931 1/20 0.31
IDO1 P14902 1/20 0.31
PARP1 P09874 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP1 O94782 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
SCHEMBL4744316 0.91 PDE2A (0.33) LYNPDE2APOLBSMN1; SMN2USP1
SCHEMBL4742187 0.85 USP1 (0.33) KDM4EUSP1
SCHEMBL4913222 0.85 PDPK1 (0.32)
SCHEMBL4482238 0.84 LYN (0.32) LYNADORA2AADORA1SRC
SCHEMBL3986102 0.81 USP1 (0.31) KDM4EUSP1
SCHEMBL4745295 0.81 KDM4E (0.32) KDM4ETOP2ABPTFCECR2BRD9
SCHEMBL4490928 0.80 KDM4E (0.32) KDM4ETOP2ABPTFCECR2BRD9
SCHEMBL4489726 0.78 KDM4E (0.30) KDM4ESMN1; SMN2
SCHEMBL4485590 0.77 TP53 (0.33) POLBSMN1; SMN2
SCHEMBL3993899 0.77 TP53 (0.33) POLBSMN1; SMN2

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