SCHEMBL2045845

SCHEMBL2045845

CCCCc1nc2nc(Cc3ccccc3)nc(N)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
PNP P00491 1/20 0.45
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
PARP1 P09874 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR7 Q9NYK1 5/20 0.38

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
SCHEMBL28037851 0.85 PNP (0.59) PNPADORA2AADORA1CYP1A2CYP3A4
SCHEMBL5363128 0.79 CYP1A2 (0.46) PI4KAPI4K2BPI4K2API4KBPNP
SCHEMBL17843613 0.75 ADORA2A (0.46) PI4KAPI4K2BPI4K2API4KBPNP
SCHEMBL5072515 0.74 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL16486562 0.73 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL5357839 0.73 PNP (0.42) PI4KAPI4K2BPI4K2API4KBPNP
SCHEMBL5358015 0.73 PNP (0.42) PI4KAPI4K2BPI4K2API4KBPNP
Alcohol SCHEMBL28116206 0.73 PNP (0.54) PNP
SCHEMBL27648253 0.73 PNP (0.61) PNPCYP2D6
SCHEMBL3453941 0.72 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2510118-A2 PREFERENTIAL AMPLIFICATION OF MRNA OVER DNA USING CHEMICALLY MODIFIED PRIMERS Roche Diagniostics GmbH (DE) 2012-10-17 EP claimed
CN-102639719-A Preferential amplification of mRNA over DNA using chemically modified primers ROCHE DIAGNOSTICS GMBH 2012-08-15 CN claimed
CN-102186996-A Improved allele-specific amplification ROCHE DIAGNOSTICS GMBH 2011-09-14 CN claimed
WO-2011069676-A2 PREFERENTIAL AMPLIFICATION OF MRNA OVER DNA USING CHEMICALLY MODIFIED PRIMERS ROCHE DIAGNOSTICS GMBH (DE) 2011-06-16 WO claimed
EP-1951895-A1 ASSOCIATION OF PDE4D ALLELIC VARIANTS WITH STROKE BOEHRINGER MANNHEIM GMBH (DE) 2008-08-06 EP disclosed
WO-2007048574-A1 ASSOCIATION OF PDE4D ALLELIC VARIANTS WITH STROKE ROCHE DIAGNOSTICS GMBH (DE) 2007-05-03 WO disclosed
EP-1611254-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP Roche Diagnostics GmbH (DE) 2006-01-04 EP disclosed
WO-2004092412-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP ROCHE DIAGNOSTICS GMBH (DE) 2004-10-28 WO disclosed