SCHEMBL6554277

SCHEMBL6554277

CNC(=O)c1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12.NC(=O)c1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12.O=C(Nc1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12)c1ccccc1.O=S(=O)(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 4/20 0.37
▸ CDK7 P50613 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ CSNK2A1 P68400 4/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ MARK3 P27448 2/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ CSNK1G2 P78368 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ MAP4K2 Q12851 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35

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
SCHEMBL6554280 1.00 GPR17 (0.37) GPR17CDK7MEN1LMNAPOLB
SCHEMBL6554266 0.83 CSNK2A1 (0.45) FLT3CSNK2A1NTRK1DYRK3MAP4K4
SCHEMBL6554271 0.83 CSNK2A1 (0.45) FLT3CSNK2A1NTRK1DYRK3MAP4K4
SCHEMBL6554464 0.80 HTT (0.38) FLT3CSNK2A1NTRK1DYRK3MAP4K4
SCHEMBL4009506 0.79 CDK7 (0.48) GPR17CDK7FLT3CSNK2A1NTRK1
SCHEMBL4003421 0.79 CDK7 (0.48) GPR17CDK7FLT3CSNK2A1NTRK1
SCHEMBL4006597 0.79 CSNK2A1 (0.52) GPR17MEN1LMNAPOLBMAPT
SCHEMBL4010178 0.79 FLT3 (0.51) GPR17MEN1LMNAPOLBMAPT
SCHEMBL4015191 0.77 NTRK1 (0.48) CSNK2A1NTRK1PRKAA1DYRK1ANTRK3
SCHEMBL4014969 0.76 FLT3 (0.51) GPR17MEN1LMNAPOLBMAPT

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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