SCHEMBL4742736

SCHEMBL4742736

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1nc(C)ns1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
TNKS O95271 3/20 0.36
SPR P35270 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 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
SCHEMBL4779633 0.91 KMT2A (0.33) SPRPARP2NPC1
SCHEMBL4742743 0.89 NPC1 (0.42) PDE9ACDK4CCND1TNKSSPR
SCHEMBL4742755 0.89 PDE9A (0.40) PDE9ACDK4CCND1TNKSSPR
SCHEMBL4742716 0.87 PDE9A (0.41) PDE9ACDK4CCND1TNKSSPR
SCHEMBL4742766 0.86 PDE9A (0.40) PDE9ACDK4CCND1TNKSSPR
SCHEMBL4742768 0.85 PDE9A (0.40) PDE9ACDK4CCND1TNKSSPR
SCHEMBL4742744 0.85 PDE9A (0.39) PDE9ACDK4CCND1TNKSTNKS2
SCHEMBL4742732 0.85 PDE9A (0.40) PDE9ACDK4CCND1TNKSTNKS2
SCHEMBL4742951 0.83 MAPT (0.37) PDE9ASPRGAAHTTALDH1A1
SCHEMBL4742826 0.83 CDK4 (0.44) CDK4CCND1TNKSTNKS2PARP2

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