SCHEMBL22091557

SCHEMBL22091557

C=C1CCCC1n1cnc2[nH]cnc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CNOT7 Q9UIV1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ JAK2 O60674 3/20 0.30
▸ JAK1 P23458 3/20 0.30
▸ TYK2 P29597 3/20 0.30
▸ JAK3 P52333 3/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL5438523 0.78 ALDH1A1 (0.41) HCAR1ALDH1A1CNOT7MEN1KMT2A
SCHEMBL880201 0.67 PNP (0.48) ADORA3
SCHEMBL8338180 0.65 ALDH1A1 (0.35) ALDH1A1ADORA3ADORA2BLMNAALB
SCHEMBL1992699 0.65 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA2BLMNA
SCHEMBL8354948 0.65 ADORA2A (0.33) ALDH1A1ADORA2B
SCHEMBL10518132 0.65 ALDH1A1 (0.38) ALDH1A1ADORA2B
SCHEMBL30670576 0.63 ADRB1 (0.55) ADORA3LMNA
SCHEMBL4560684 0.62 ADORA3 (0.35) HCAR1ALDH1A1ADORA3ADORA2BJAK2
SCHEMBL12411008 0.61 MEN1 (0.45) ALDH1A1MEN1KMT2AADORA2BMAPK1
SCHEMBL1993927 0.61 ADORA2A (0.41) ALDH1A1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308567-A1 ANITIVIRAL PRODRUGS OF ENTECAVIR (ETV) AND FORMULATIONS THEREOF The Scripps Research Institute (US) 2024-01-24 — — EP disclosed
WO-2022198195-A1 ANITIVIRAL PRODRUGS OF ENTECAVIR (ETV) AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-09-22 — — WO disclosed
EP-3894395-A2 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen BioPharma, Inc. (US) 2021-10-20 — — EP disclosed
WO-2020121123-A2 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Biopharma, Inc. (US) 2020-06-18 — — WO disclosed
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