SCHEMBL17844454

SCHEMBL17844454

Nc1nc(=O)c(NC=O)c(N)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
PNP P00491 1/20 0.31
CYP3A4 P08684 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL7914803 0.73 ALDH1A1 (0.56) ALDH1A1CYP2C19MAPTCDK1CDK4
SCHEMBL8553879 0.72 ALDH1A1 (0.55) ALDH1A1CYP2C19MAPTCDK1CDK4
SCHEMBL4570273 0.70 ALDH1A1 (0.54) ALDH1A1CYP2C19MAPTCDK1CDK4
SCHEMBL29952359 0.69 PNP (0.34) MAPTCDK1CDK4CDK2PNP
SCHEMBL9513541 0.68 GAA (0.44) ALDH1A1CYP2C19MAPTPNP
SCHEMBL460884 0.68 PNP (0.39) ALDH1A1MAPTCDK1CDK4CDK2
SCHEMBL2953009 0.67 KMT2A (0.41)
SCHEMBL7167381 0.64 PNP (0.43) MAPTCDK1CDK4CDK2PNP
SCHEMBL3180702 0.64 PNP (0.37) MAPTCDK1CDK4CDK2PNP
SCHEMBL14217450 0.64 TYMP (0.43) ALDH1A1MAPTCDK1CDK4CDK2

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
CN-113088557-B Fluorescent chemical sensor for simultaneously detecting multiple DNA glycosylases and detection method and application thereof 山东师范大学 2022-07-29 CN disclosed
CN-113088557-A Fluorescent chemical sensor for simultaneously detecting multiple DNA glycosylases and detection method and application thereof 山东师范大学 2021-07-09 CN disclosed
US-20200277649-A1 BROAD SPECTRUM DETECTION OF DNA DAMAGE BY REPAIR ASSISTED DAMAGE DETECTION (RADD) RAMOT AT TEL AVIV UNIVERSITY, LTD (IL) 2020-09-03 US disclosed
WO-2019051043-A1 BROAD SPECTRUM DETECTION OF DNA DAMAGE BY REPAIR ASSISTED DAMAGE DETECTION (RADD) UNIVERSITY OF SOUTH ALABAMA (US) 2019-03-14 WO disclosed
US-20180051316-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-22 US disclosed
EP-3234178-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE The Regents of The University of California (US) 2017-10-25 EP disclosed
WO-2016100635-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-23 WO disclosed
WO-2016100637-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-23 WO disclosed