SCHEMBL4742766

SCHEMBL4742766

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ccccn1)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 0.38
CCND1 P24385 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
TNKS O95271 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
GMNN O75496 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL4742732 0.93 PDE9A (0.40) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742716 0.93 PDE9A (0.41) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4779605 0.90 PARP1 (0.35) PARP2PARP1G6PD
SCHEMBL4742755 0.88 PDE9A (0.40) PDE9ACDK4CCND1TNKSPARP2
SCHEMBL4742778 0.88 PDE9A (0.39) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742768 0.87 PDE9A (0.40) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742779 0.87 CDK4 (0.39) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742743 0.86 NPC1 (0.42) PDE9ACDK4CCND1ADORA3TNKS
SCHEMBL4742776 0.86 PDE9A (0.40) PDE9ACDK4CCND1USP2TSHR
SCHEMBL4742736 0.86 PDE9A (0.39) PDE9ACDK4CCND1TNKSPARP2

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