SCHEMBL4621403

SCHEMBL4621403

Cc1cn(-n2cnc3c(=O)[nH]c(N)nc32)c(=O)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.50
PNP P00491 3/20 0.43
TK1 P04183 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 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
SCHEMBL4857246 0.85 XDH (0.46) XDHPNPTK1MEN1KMT2A
SCHEMBL986800 0.83 XDH (0.60) XDHPNPTK1MEN1KMT2A
SCHEMBL1375443 0.83 XDH (0.54) XDHPNPTK1MEN1KMT2A
SCHEMBL15005119 0.82 XDH (0.59) XDHPNPTK1MEN1KMT2A
SCHEMBL28070623 0.80 CDK1 (0.46)
SCHEMBL28029278 0.77 ADORA2A (0.46)
SCHEMBL1825531 0.77 XDH (0.51) XDHPNPTK1MEN1KMT2A
SCHEMBL79000 0.76 XDH (0.51) XDHPNPTK1MEN1KMT2A
SCHEMBL1831279 0.76 XDH (0.50) XDHPNPTK1MEN1KMT2A
SCHEMBL72147 0.73 XDH (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504405-B1 METHOD FOR AUTOMATICALLY DETECTING CELLS WITH MOLECULAR MARKER COMPARTMENTALIZATION ASSOCIATED WITH DISEASE VISIONGATE INC (US) 2008-03-19 EP disclosed
CN-1308885-C Optical projection imaging system and method for automatically detecting cells with molecular marker compartmentalization associated with malignancy and disease VISIONGATE INC (US) 2007-04-04 CN disclosed
EP-1504405-A4 OPTICAL PROJECTION IMAGING SYSTEM AND METHOD FOR AUTOMATICALLY DETECTING CELLS WITH MOLECULAR MARKER COMPARTMENTALIZATION ASSOCIATED WITH DISEASE VISIONGATE INC (US) 2006-08-16 EP disclosed
CN-1653480-A Optical projection imaging system and method for automated detection of cells using disease-related molecular marker compartmentalization VISIONGATE INC (US) 2005-08-10 CN disclosed
EP-1504405-A1 OPTICAL PROJECTION IMAGING SYSTEM AND METHOD FOR AUTOMATICALLY DETECTING CELLS WITH MOLECULAR MARKER COMPARTMENTALIZATION ASSOCIATED WITH DISEASE Visiongate, Inc. (US) 2005-02-09 EP disclosed
WO-2003098539-A1 OPTICAL PROJECTION IMAGING SYSTEM AND METHOD FOR AUTOMATICALLY DETECTING CELLS WITH MOLECULAR MARKER COMPARTMENTALIZATION ASSOCIATED WITH DISEASE VISIONGATE, INC. (US) 2003-11-27 WO disclosed
US-6636623-B2 Optical projection imaging system and method for automatically detecting cells with molecular marker compartmentalization associated with malignancy and disease VISIONGATE, INC. 2003-10-21 US disclosed
US-20030031352-A1 Optical projection imaging system and method for automatically detecting cells with molecular marker compartmentalization associated with malignancy and disease VISIONGATE, INC. 2003-02-13 US disclosed