SCHEMBL20219506

SCHEMBL20219506

CCCCNc1ncncc1O[C@@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ TLR8 Q9NR97 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP1A2 P05177 2/20 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
SCHEMBL20219480 0.98 LMNA (0.45) SRCABL1LMNASMN1; SMN2NPSR1
SCHEMBL23472189 0.82 TLR8 (0.41) SRCABL1NPSR1ALDH1A1KDM4E
SCHEMBL15469961 0.81 TLR8 (0.50) TLR8CYP1A2TLR7L3MBTL1CYP2D6
SCHEMBL15469963 0.81 TLR8 (0.50) TLR8CYP1A2TLR7L3MBTL1CYP2D6
SCHEMBL20219679 0.81 TLR8 (0.40) SRCABL1LMNASMN1; SMN2NPSR1
SCHEMBL13195744 0.81 TLR8 (0.50) TLR8CYP1A2TLR7L3MBTL1CYP2D6
SCHEMBL15469957 0.79 TLR8 (0.47) TLR8CYP1A2TLR7L3MBTL1CYP2D6
SCHEMBL23472446 0.78 TLR8 (0.39) SRCABL1LMNASMN1; SMN2NPSR1
SCHEMBL23472328 0.77 SRC (0.45) SRCABL1LMNASMN1; SMN2NPSR1
SCHEMBL20219716 0.77 SRC (0.45) SRCABL1LMNASMN1; SMN2NPSR1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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