SCHEMBL6554462

SCHEMBL6554462

CNC(=O)c1n[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc12.NC(=O)c1n[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc12.O=C(c1ccccc1)N(c1cccc(F)c1)c1n[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 3/20 0.38
▸ FLT3 P36888 5/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ CAMK2G Q13555 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36

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
SCHEMBL4013301 0.82 FLT3 (0.51) GPR17FLT3P2RY2CSNK2A1CDK2
SCHEMBL6554340 0.80 CSNK2A1 (0.38) FLT3CSNK2A1CDK2DYRK1ADYRK3
SCHEMBL6554464 0.80 HTT (0.38) FLT3CSNK2A1CDK2DYRK1ADYRK3
SCHEMBL4014693 0.79 NTRK1 (0.48) GPR17FLT3P2RY2DYRK1ANTRK3
SCHEMBL4008126 0.77 NTRK1 (0.44) GPR17P2RY2CSNK2A1CDK2DYRK1A
SCHEMBL6554280 0.76 GPR17 (0.37) GPR17FLT3P2RY2CSNK2A1CDK2
SCHEMBL6554277 0.76 GPR17 (0.37) GPR17FLT3P2RY2CSNK2A1CDK2
SCHEMBL4006597 0.75 CSNK2A1 (0.52) GPR17FLT3P2RY2CSNK2A1CDK2
SCHEMBL6554271 0.75 CSNK2A1 (0.45) FLT3CSNK2A1CDK2DYRK1ADYRK3
SCHEMBL6554266 0.75 CSNK2A1 (0.45) FLT3CSNK2A1CDK2DYRK1ADYRK3

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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