SCHEMBL24143302

SCHEMBL24143302

CN(C)SNCCc1cn(C)c2cc(-c3ccncc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 13/20 0.48
▸ NR4A2 P43354 1/20 0.39
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ NFATC1 O95644 1/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL24144264 0.89 NR1D1 (0.52) NR1D1GSK3BDYRK1ANFATC1METAP2
SCHEMBL24143293 0.84 NR1D1 (0.57) NR1D1
SCHEMBL24143250 0.84 NR1D1 (0.49) NR1D1CHEK1AAK1
SCHEMBL24143301 0.84 NR1D1 (0.46) NR1D1GSK3BDYRK1ACHEK1METAP2
SCHEMBL24144679 0.84 NR1D1 (0.49) NR1D1GSK3B
SCHEMBL24143779 0.83 NR1D1 (0.50) NR1D1NR4A2GSK3BDYRK1ANFATC1
SCHEMBL24144342 0.83 NR1D1 (0.48) NR1D1GSK3BDYRK1ANFATC1AAK1
SCHEMBL24143043 0.81 NR1D1 (0.45) NR1D1NR4A2GSK3BDYRK1ACHEK1
SCHEMBL24144870 0.81 NR1D1 (0.48) NR1D1NR4A2GSK3BDYRK1ANFATC1
SCHEMBL24143303 0.80 NR1D1 (0.73) NR1D1

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
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — WO disclosed
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