SCHEMBL20219480

SCHEMBL20219480

CCCCCNc1ncncc1OC(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ S1PR2 O95136 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SRC P12931 5/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNB3 Q8WWL7 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
SCHEMBL20219506 0.98 SRC (0.44) LMNASMN1; SMN2S1PR2NPSR1SRC
SCHEMBL15469957 0.81 TLR8 (0.47) CYP1A2TLR8CYP2D6
SCHEMBL23472189 0.80 TLR8 (0.41) NPSR1SRCABL1ALDH1A1TSHR
SCHEMBL20219679 0.79 TLR8 (0.40) LMNASMN1; SMN2NPSR1SRCABL1
SCHEMBL15469963 0.79 TLR8 (0.50) CYP1A2TLR8CYP2D6
SCHEMBL13195744 0.79 TLR8 (0.50) CYP1A2TLR8CYP2D6
SCHEMBL15469961 0.79 TLR8 (0.50) CYP1A2TLR8CYP2D6
SCHEMBL23472446 0.76 TLR8 (0.39) LMNASMN1; SMN2NPSR1SRCABL1
SCHEMBL23472328 0.74 SRC (0.45) LMNASMN1; SMN2S1PR2NPSR1SRC
SCHEMBL20219716 0.74 SRC (0.45) LMNASMN1; SMN2S1PR2NPSR1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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