SCHEMBL4997841

SCHEMBL4997841

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)CP(=O)(O)O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.77
TGM2 P21980 1/20 0.60
IMPDH2 P12268 6/20 0.59
IMPDH1 P20839 2/20 0.59
KRAS P01116 6/20 0.59
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
POLB P06746 1/20 0.57

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
SCHEMBL12714661 0.96 NT5E (0.84) NT5ETGM2KRASPOLB
SCHEMBL17586739 0.92 NT5E (0.69) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL2315499 0.92 NT5E (0.69) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL29355115 0.89 TGM2 (0.65) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL12714665 0.89 NT5E (0.84) NT5ETGM2KRASTAS1R3TAS1R1
SCHEMBL22434694 0.89 NT5E (0.65) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL18320601 0.88 NT5E (0.72) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL10037916 0.88 NT5E (0.68) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL5828417 0.88 NT5E (0.68) NT5ETGM2IMPDH2IMPDH1KRAS
SCHEMBL10067882 0.88 NT5E (0.68) NT5ETGM2IMPDH2IMPDH1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed