SCHEMBL4742768

SCHEMBL4742768

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1nc(=O)[nH]c(=O)[nH]1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
SPR P35270 1/20 0.36
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ADORA3 P0DMS8 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL4779657 0.90 PDE5A (0.34) SPRPARP2
SCHEMBL4742716 0.88 PDE9A (0.41) PDE9ACDK4CCND1SPRTNKS
SCHEMBL4742766 0.87 PDE9A (0.40) PDE9ACDK4CCND1SPRTNKS
SCHEMBL4742755 0.87 PDE9A (0.40) PDE9ACDK4CCND1SPRTNKS
SCHEMBL4742732 0.86 PDE9A (0.40) PDE9ACDK4CCND1TNKSTNKS2
SCHEMBL4742743 0.86 NPC1 (0.42) PDE9ACDK4CCND1SPRTNKS
SCHEMBL4742736 0.85 PDE9A (0.39) PDE9ACDK4CCND1SPRTNKS
SCHEMBL4742966 0.85 SPR (0.40) PDE9ASPRADORA3TSHRALDH1A1
SCHEMBL4742744 0.85 PDE9A (0.39) PDE9ACDK4CCND1TNKSTNKS2
SCHEMBL4742662 0.83 PDE9A (0.38) PDE9ASPRTSHRALDH1A1

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-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