SCHEMBL29138701

SCHEMBL29138701

C#CCNn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.48
PNP P00491 3/20 0.47
TK1 P04183 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPRT1 P00492 3/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
VCP P55072 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL19569930 0.80 XDH (0.55) XDHPNPTK1MEN1KMT2A
SCHEMBL21137208 0.79 XDH (0.55) XDHPNPTK1MEN1KMT2A
SCHEMBL21137720 0.78 XDH (0.52) XDHPNPTK1MEN1KMT2A
Hydrochloric Acid SCHEMBL26629006 0.78 PNP (0.50) XDHPNPTK1MEN1KMT2A
SCHEMBL9819318 0.77 PNP (0.64) XDHPNPTK1MEN1KMT2A
SCHEMBL3428512 0.77 PNP (0.60) PNPTK1MEN1KMT2ABLM
SCHEMBL7209513 0.75 MEN1 (0.49) XDHPNPTK1MEN1KMT2A
SCHEMBL48090 0.75 XDH (0.51) XDHPNPTK1MEN1KMT2A
SCHEMBL9724912 0.73 MEN1 (0.46) XDHPNPTK1MEN1KMT2A
9-Methylguanine SCHEMBL22884 0.72 XDH (0.58) XDHPNPTK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867670-A Base-modified nucleotides as substrates for TDT-based enzyme nucleic acids 伊鲁米纳新加坡有限公司 2023-03-28 CN disclosed