SCHEMBL5045348

SCHEMBL5045348

O=C(Nc1nc(Cl)c2ncn(C(Cc3ccccc3)C(=O)O)c2n1)OC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CDK2 P24941 6/20 0.36
CCNE1 P24864 3/20 0.36
CCNE2 O96020 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
CDK1 P06493 9/20 0.34
CDK5 Q00535 7/20 0.34
CDK5R1 Q15078 2/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL9079453 0.86 BCHE (0.37) ACHEHDAC8
SCHEMBL5048107 0.81 ACHE (0.38) ACHETDP1KDM4ENPC1MAPT
SCHEMBL7617736 0.81 SMN1; SMN2 (0.37) ACHETDP1KDM4ENPC1MAPT
SCHEMBL7617492 0.76 HDAC1 (0.45) TDP1KDM4EMAPTHDAC8
SCHEMBL14477481 0.69 RAB9A (0.46) ACHEKDM4ENPC1CDK2CCNE1
SCHEMBL9079905 0.66 MEN1 (0.42) ACHEMAPT
SCHEMBL14309812 0.64 TSHR (0.43) ACHEKDM4ENPC1MAPT
SCHEMBL17450141 0.64 CDK2 (0.72) TDP1KDM4ENPC1MAPTCDK2
SCHEMBL7552107 0.60 HDAC8 (0.48) TDP1KDM4EMAPTHDAC8
SCHEMBL9412743 0.57 GSK3B (0.47) ACHEKDM4ECDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
EP-0736027-B1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS INC (US) 2002-05-29 EP disclosed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US disclosed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 EP disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO disclosed