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SCHEMBL2446596

SCHEMBL2446596

C=CCS(=O)(=O)Nc1ccc(-c2cnc3c(-c4ccc(OC)[nH]c4=O)cc(C(C)(C)C)c(OC)c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.33
▸ CRBN Q96SW2 1/20 0.32
▸ CLK1 P49759 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ DYRK2 Q92630 1/20 0.30
▸ DYRK1B Q9Y463 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
SCHEMBL29461413 0.88 CYP3A4 (0.41) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL1702596 0.88 CYP3A4 (0.41) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL1702352 0.86 CYP3A4 (0.32) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL1702550 0.83 MAPK10 (0.39) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL3717432 0.81 FYN (0.38) CLK1DYRK1ADYRK2DYRK1B
SCHEMBL1702767 0.81 MAPK10 (0.41) CLK1DYRK1ADYRK2DYRK1B
SCHEMBL1703190 0.80 CYP3A4 (0.41) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL2450698 0.79 DYRK1B (0.44) CYP3A4CRBNCLK1DYRK1ADYRK2
SCHEMBL15321772 0.79 MAP3K11 (0.32) CYP3A4
SCHEMBL3717429 0.78 FYN (0.43) —

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-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 — — EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 — — US claimed