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SCHEMBL6554348

SCHEMBL6554348

CNC(=O)c1n[nH]c2ccc(S(=O)(=O)Oc3ccccc3S(C)(=O)=O)cc12.CS(=O)(=O)c1ccccc1OS(=O)(=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.CS(=O)(=O)c1ccccc1OS(=O)(=O)c1ccc2[nH]nc(C(N)=O)c2c1.CS(=O)(=O)c1ccccc1OS(=O)(=O)c1ccc2[nH]nc(NC(=O)c3ccccc3-c3ccccc3S(C)(=O)=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 6/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ CAMK2G Q13555 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ MARK2 Q7KZI7 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 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
SCHEMBL4007991 0.83 CSNK2A1 (0.54) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL6554464 0.81 HTT (0.38) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL4009508 0.81 NTRK1 (0.51) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL6554340 0.80 CSNK2A1 (0.38) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL4007967 0.79 NTRK1 (0.41) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL4008083 0.77 CDK7 (0.48) CSNK2A1CDK2MAP4K4CDK1MARK3
SCHEMBL6554271 0.71 CSNK2A1 (0.45) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL6554266 0.71 CSNK2A1 (0.45) CSNK2A1CDK2MAP4K4GSK3BCLK4
SCHEMBL6556007 0.70 NTRK1 (0.39) CSNK2A1CDK2PRKAA1NTRK1FLT3
SCHEMBL6554277 0.70 GPR17 (0.37) CSNK2A1CDK2MAP4K4GSK3BCLK4

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-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO disclosed
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