SCHEMBL7512196

SCHEMBL7512196

CC(CO)(CO)Nc1nc(N)ncc1Sc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
TLR8 Q9NR97 9/20 0.42
NUDT1 P36639 2/20 0.39
TLR7 Q9NYK1 3/20 0.39
DHFR P00374 1/20 0.38
CYP1A2 P05177 2/20 0.37
EGFR P00533 1/20 0.37
TYMS P04818 1/20 0.37
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7516524 0.88 RXFP1 (0.54) RXFP1NUDT1DHFRCYP1A2EGFR
SCHEMBL7515653 0.79 RXFP1 (0.62) RXFP1DHFRCYP1A2EGFRTYMS
SCHEMBL7521450 0.79 RXFP1 (0.56) RXFP1DHFRCYP1A2EGFRTYMS
SCHEMBL7523775 0.79 RXFP1 (0.55) RXFP1DHFRCYP1A2EGFRTYMS
SCHEMBL7515684 0.77 RXFP1 (0.53) RXFP1TLR8TLR7DHFRLATS1
SCHEMBL7515681 0.77 RXFP1 (0.53) RXFP1TLR8TLR7DHFRLATS1
SCHEMBL5203524 0.76 TLR8 (0.42) TLR8NUDT1TLR7ALDH1A1LMNA
SCHEMBL7512187 0.76 RXFP1 (0.52) RXFP1DHFRCYP1A2EGFRTYMS
SCHEMBL7519775 0.76 RXFP1 (0.62) RXFP1DHFRCYP1A2EGFRTYMS
SCHEMBL7510622 0.76 RXFP1 (0.54) RXFP1DHFRCYP1A2EGFRTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed