SCHEMBL1812901

SCHEMBL1812901

c1c[nH]c(-n2cnc3cncnc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.43
FDPS P14324 1/20 0.35
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 4/20 0.32
CLK4 Q9HAZ1 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HIPK2 Q9H2X6 1/20 0.31
FGFR1 P11362 1/20 0.31
LTA4H P09960 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28580330 0.74 MKNK2 (0.46) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL2417987 0.73 MKNK2 (0.40) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL3697841 0.72 MKNK2 (0.49) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL26126509 0.72 BCHE (0.42) MKNK2CYP1A2CYP3A4TSHRCLK4
SCHEMBL20520353 0.70 MKNK2 (0.42) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL28189820 0.70 MKNK2 (0.42) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL793846 0.70 MKNK2 (0.48) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL27715441 0.69 MKNK2 (0.41) MKNK2FDPSCYP1A2CYP3A4TSHR
SCHEMBL3027720 0.69 PI4KA (0.57) MKNK2CYP1A2CYP3A4TSHRFGFR1
SCHEMBL1803928 0.68 HTT (0.55) MKNK2FGFR1ALDH1A1

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
CN-117844810-A Promoter for improving expression level of glycinamide nucleotide synthetase and application thereof 华南理工大学 2024-04-09 CN disclosed
EP-2493895-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2012-09-05 EP disclosed
WO-2011051452-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2011-05-05 WO disclosed
US-5656742-A Ring-opened purine compounds for labeling polynucleotides UNIVERSITY OF MIAMI (US) 1997-08-12 US disclosed
EP-0625985-B1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIV MIAMI (US) 1997-06-11 EP disclosed
US-5593829-A Method for labeling DNA by ring-opening of purine bases UNIVERSITY OF MIAMI (US) 1997-01-14 US disclosed
EP-0625985-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES. UNIV MIAMI (US) 1994-11-30 EP disclosed
WO-1993011146-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIVERSITY OF MIAMI (US) 1993-06-10 WO disclosed