SCHEMBL16005657

SCHEMBL16005657

CC(CO)(CO)Nc1nc(NC(C)(CO)CO)nc(NC(C)(CO)CO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
PDE4A P27815 2/20 0.44
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL10722285 0.93 LMNA (0.52) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL16005728 0.89 SMN1; SMN2 (0.39) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL16005423 0.84 MEN1 (0.39) NPSR1PDE4ASMN1; SMN2MAPTKMT2A
SCHEMBL16005592 0.77 NPSR1 (0.43) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL10721484 0.73 NPSR1 (0.58) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL10726504 0.73 LMNA (0.52) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL16005613 0.72 NPSR1 (0.38) NPSR1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL16826663 0.71 P2RX3 (0.35) PDE4AP2RX3P2RX2
SCHEMBL16015952 0.70 NPSR1 (0.38) NPSR1PDE4ALMNASMN1; SMN2MAPT
SCHEMBL9003921 0.69 PDE4A (0.38) NPSR1PDE4ALMNASMN1; SMN2MAPT

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
EP-2774922-A1 Method for obtaining a functionalized triazine compound and the triazine compound obtained by said method Borealis Agrolinz Melamine GmbH (AT) 2014-09-10 EP disclosed
EP-2774922-A1 Method for obtaining a functionalized triazine compound and the triazine compound obtained by said method Borealis Agrolinz Melamine GmbH (AT) 2014-09-10 EP disclosed