SCHEMBL689835

SCHEMBL689835

Nc1nc(N)nc(NC2CCCCCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
PDE4A P27815 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HRH4 Q9H3N8 3/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.41
CTSK P43235 1/20 0.41
CHUK O15111 1/20 0.41

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
SCHEMBL2783836 1.00 NUDT1 (0.51) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL11478013 0.98 NUDT1 (0.49) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL6640516 0.96 PDE4A (0.55) NUDT1KDM4EGAAPDE4ASMN1; SMN2
Cyromazine SCHEMBL27231 0.89 NUDT1 (0.43) NUDT1KDM4EGAAPDE4ASMN1; SMN2
Cyromazine SCHEMBL10832935 0.89 NUDT1 (0.43) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL8465596 0.88 NUDT1 (0.43) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL18286560 0.87 NUDT1 (0.49) NUDT1KDM4EGAAPDE4ASMN1; SMN2
Cyromazine SCHEMBL11476792 0.86 NUDT1 (0.42) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL24726732 0.85 PDE4A (0.46) NUDT1KDM4EGAAPDE4ASMN1; SMN2
SCHEMBL19486863 0.85 PDE4A (0.46) NUDT1KDM4EGAAPDE4ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1697831-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-11-16 CN claimed
CN-110770039-A Tyre for vehicle wheels 株式会社普利司通 2020-02-07 CN disclosed
CN-110740877-A Reinforcing member and tire using same 株式会社普利司通 2020-01-31 CN disclosed
CN-110740876-A Tyre for vehicle wheels 株式会社普利司通 2020-01-31 CN disclosed
US-9464183-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2016-10-11 US disclosed
EP-1820667-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2012-02-29 EP disclosed
EP-1724302-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2011-07-20 EP disclosed
US-20110146886-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed
US-7823614-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2010-11-02 US disclosed
US-20090229728-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-09-17 US disclosed
US-20080047650-A1 Rubber Composition And Pneumatic Tire Using The Same BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed
EP-1820667-A1 PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-08-22 EP disclosed
EP-1724302-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2006-11-22 EP disclosed