SCHEMBL9757400

SCHEMBL9757400

O=C(O)c1cn(C2CC2)c2nc(-n3cc4ccccc4c3)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.66
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
TOP2A P11388 6/20 0.50
TOP2B Q02880 6/20 0.50
KDM4E B2RXH2 2/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GSK3B P49841 1/20 0.47
DHFR P00374 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL10874660 0.89 DPP4 (0.63) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9764507 0.87 DPP4 (0.55) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9757342 0.86 DPP4 (0.56) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9757404 0.85 DPP4 (0.69) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9757281 0.85 DPP4 (0.51) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL4247787 0.85 DPP4 (0.68) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10875036 0.83 DPP4 (0.57) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10377708 0.83 DPP4 (0.66) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL5142702 0.82 DPP4 (0.58) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9437304 0.82 TOP2A (0.58) DPP4CHRM2DRD1TOP2ATOP2B

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed