SCHEMBL24144342

SCHEMBL24144342

CCC(C)n1cc(CCNSN(C)C)c2ccc(-c3ccncc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 17/20 0.48
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPA Q5VT25 1/20 0.32
▸ MARK2 Q7KZI7 1/20 0.32

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 0.92 NR1D1 (0.52) NR1D1NFATC1GSK3BDYRK1AAAK1
SCHEMBL24143302 0.83 NR1D1 (0.48) NR1D1NFATC1GSK3BDYRK1AAAK1
SCHEMBL24143250 0.83 NR1D1 (0.49) NR1D1AAK1
SCHEMBL24143522 0.82 NR1D1 (0.72) NR1D1
SCHEMBL24143354 0.82 CDK2 (0.34) NR1D1CDK2
SCHEMBL24143293 0.81 NR1D1 (0.57) NR1D1
SCHEMBL24144036 0.81 NR1D1 (0.44) NR1D1AAK1ROCK2CDK1PRKACA
SCHEMBL24143335 0.79 NR1D1 (0.38) NR1D1GSK3BDYRK1AAAK1ROCK2
SCHEMBL24143301 0.79 NR1D1 (0.46) NR1D1GSK3BDYRK1A
SCHEMBL24144895 0.77 NR1D1 (0.59) NR1D1DYRK1A

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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