SCHEMBL4449476

SCHEMBL4449476

NC(=O)c1c[se]c(-n2cnc3c(N)ncnc32)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.45
▸ PI4K2B Q8TCG2 10/20 0.45
▸ PI4K2A Q9BTU6 10/20 0.45
▸ PI4KB Q9UBF8 10/20 0.45
▸ EGFR P00533 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ HSP90B1 P14625 1/20 0.39
▸ AHCY P23526 1/20 0.39
▸ ADORA2B P29275 1/20 0.39

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
SCHEMBL458772 0.77 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17802561 0.70 CFTR (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL2346678 0.67 GSK3B (0.67) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17354760 0.66 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBEGFR
Hydrochloric Acid SCHEMBL29003046 0.65 GSK3B (0.65) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL29010476 0.65 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17354662 0.65 ADORA2A (0.48) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17165347 0.63 EGFR (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL9621206 0.63 GSK3B (0.50) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25313276 0.62 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166201-A1 Selection systems for genetically modified cells CITY OF HOPE 2003-09-04 — — US claimed
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
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 — — EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 — — WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 — — US disclosed
US-20030166201-A1 Selection systems for genetically modified cells CITY OF HOPE 2003-09-04 — — US disclosed
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