SCHEMBL2489808

SCHEMBL2489808

Clc1nc(Cl)c2ncn(C3CCCCO3)c2n1.Nc1nc(Cl)nc2c1ncn2C1CCCCO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.64
TP53 P04637 2/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
APEX1 P27695 1/20 0.56
PI4KA P42356 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
ADCY1 Q08828 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
PDE4D Q08499 2/20 0.50
PDE3A Q14432 2/20 0.50
PNP P00491 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL29354479 0.95 YTHDC1 (0.69) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL20275396 0.95 YTHDC1 (0.69) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL243515 0.95 YTHDC1 (0.69) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL20275400 0.93 YTHDC1 (0.72) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL244963 0.93 YTHDC1 (0.72) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL29353722 0.93 YTHDC1 (0.72) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL4148488 0.92 TP53 (0.66) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL4151824 0.89 YTHDC1 (0.66) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL179599 0.85 YTHDC1 (0.59) YTHDC1TP53CYP2C9NFKB1MAPK1
SCHEMBL17262848 0.83 PI4KA (0.64) YTHDC1TP53CYP2C9NFKB1MAPK1

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-2139894-B1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7) MODULATORS ASTRAZENECA AB (SE) 2011-10-26 EP disclosed
EP-2132209-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP disclosed
WO-2008114008-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS ASTRAZENECA AB (SE) 2008-09-25 WO disclosed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO disclosed