SCHEMBL4742662

SCHEMBL4742662

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)c1nc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.38
SPR P35270 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TP53 P04637 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CD38 P28907 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4742667 0.88 MPO (0.38) PDE9ASPRKDM4ETP53IRAK4
SCHEMBL4742716 0.88 PDE9A (0.41) PDE9ASPRTP53TSHRMAPT
SCHEMBL4742776 0.87 PDE9A (0.40) PDE9ASPRTP53CD38TSHR
SCHEMBL4742659 0.84 KDM4E (0.38) PDE9AKDM4EIRAK4TSHRHSD17B10
SCHEMBL4742675 0.83 PDE9A (0.38) PDE9ASPRKDM4ETP53MAPT
SCHEMBL4780174 0.83 GFER (0.41) PDE9AKDM4EIRAK4MAPTRXFP1
SCHEMBL4742768 0.83 PDE9A (0.40) PDE9ASPRTSHRALDH1A1
SCHEMBL4780194 0.81 GFER (0.40) PDE9AKDM4EIRAK4MAPTRXFP1
SCHEMBL4742957 0.81 GFER (0.40) PDE9AKDM4EIRAK4TSHRMAPT
SCHEMBL4742766 0.81 PDE9A (0.40) PDE9ASPRKDM4ETP53TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed