SCHEMBL6755679

SCHEMBL6755679

Nc1nc(N)c2ncn(-n3nnc4c(=O)[nH]c(N)nc43)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.41
PNP P00491 4/20 0.41
BLM P54132 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41
RECQL P46063 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TK1 P04183 2/20 0.39
STING1 Q86WV6 1/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
HPRT1 P00492 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL28348671 0.90 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL1825531 0.86 XDH (0.51) XDHPNPBLMUSP2TSHR
SCHEMBL27562476 0.84 XDH (0.42) XDHPNPBLMUSP2TSHR
SCHEMBL3953063 0.76 XDH (0.38) XDHPNPBLMUSP2TSHR
SCHEMBL986800 0.75 XDH (0.60) XDHPNPBLMUSP2TSHR
SCHEMBL28695644 0.75 XDH (0.43) XDHPNPBLMUSP2TSHR
SCHEMBL15005119 0.74 XDH (0.59) XDHPNPBLMUSP2TSHR
SCHEMBL556881 0.73 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL27983442 0.72 CDK1 (0.59) CDK1CCNB1CCNE1CDK2
SCHEMBL1831279 0.71 XDH (0.50) XDHPNPBLMUSP2TSHR

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
CN-111527207-A GalNAc derivatives 詹森生物制药有限公司 2020-08-11 CN disclosed
WO-2004053168-A1 MODULATION OF ADIPOPHILIN EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed