SCHEMBL4742732

SCHEMBL4742732

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1cnccn1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.40
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2B P29275 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
TNKS O95271 3/20 0.35
PARP2 Q9UGN5 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP1 P09874 1/20 0.34
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
G6PD P11413 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
SCHEMBL4742766 0.93 PDE9A (0.40) PDE9ACDK4CCND1KDM4EADORA3
SCHEMBL4779639 0.90 PARP1 (0.34) PARP2PARP1G6PD
SCHEMBL4742716 0.90 PDE9A (0.41) PDE9ACDK4CCND1ADORA3GMNN
SCHEMBL4742755 0.86 PDE9A (0.40) PDE9ACDK4CCND1KDM4EMAPT
SCHEMBL4742768 0.86 PDE9A (0.40) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742743 0.85 NPC1 (0.42) PDE9ACDK4CCND1KDM4EADORA3
SCHEMBL4742736 0.85 PDE9A (0.39) PDE9ACDK4CCND1MAPTTNKS
SCHEMBL4742744 0.84 PDE9A (0.39) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742776 0.84 PDE9A (0.40) PDE9ACDK4CCND1TP53RXFP1
SCHEMBL4779605 0.83 PARP1 (0.35) PARP2PARP1G6PD

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