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SCHEMBL6554266

SCHEMBL6554266

CNC(=O)c1n[nH]c2ccc(OS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12.CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc2[nH]nc(C(N)=O)c2c1.O=S(=O)(O)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 4/20 0.45
▸ NTRK1 P04629 8/20 0.45
▸ CDK2 P24941 4/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 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
▸ 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
SCHEMBL6554271 1.00 CSNK2A1 (0.45) CSNK2A1NTRK1CDK2DYRK1ADYRK3
SCHEMBL6554277 0.83 GPR17 (0.37) CSNK2A1NTRK1CDK2DYRK1ADYRK3
SCHEMBL6554280 0.83 GPR17 (0.37) CSNK2A1NTRK1CDK2DYRK1ADYRK3
SCHEMBL4009831 0.83 CSNK2A1 (0.54) CSNK2A1CDK2DYRK1ADYRK3MAP4K4
SCHEMBL4006597 0.82 CSNK2A1 (0.52) CSNK2A1CDK2DYRK1ADYRK3MAP4K4
SCHEMBL4008356 0.81 YTHDC1 (0.53) CSNK2A1NTRK1CDK2GSK3BPRKAA1
SCHEMBL4015191 0.80 NTRK1 (0.48) CSNK2A1NTRK1DYRK1APRKAA1NTRK3
SCHEMBL4008425 0.79 PRKAG1 (0.40) CSNK2A1NTRK1CDK2PRKAA1ROCK1
SCHEMBL4007171 0.77 NTRK1 (0.44) CSNK2A1NTRK1DYRK1APRKAA1WNT1
SCHEMBL6556007 0.77 NTRK1 (0.39) CSNK2A1NTRK1CDK2PRKAA1ROCK1

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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