SCHEMBL6555536

SCHEMBL6555536

CNC(=O)c1n[nH]c2ccc(S(=O)(=O)Nc3ccccc3S(C)(=O)=O)cc12.CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]nc(C(N)=O)c2c1.O=S(=O)(Nc1cccc(F)c1)c1ccc2[nH]ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.44
▸ PIK3CD O00329 6/20 0.41
▸ PIK3CA P42336 6/20 0.41
▸ PIK3CG P48736 6/20 0.41
▸ PIK3CB P42338 5/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ACLY P53396 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAP2K7 O14733 2/20 0.38
▸ MAP2K4 P45985 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL6556831 0.84 MEN1 (0.47) NTRK1KMT2AMEN1MAP2K7MAP2K4
SCHEMBL4008915 0.81 NTRK1 (0.52) NTRK1PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL4013522 0.81 POLB (0.52) NTRK1KMT2APOLBCSNK2A1
SCHEMBL4009500 0.80 BRAF (0.45) KMT2APOLBMEN1CSNK2A1GAA
SCHEMBL4003137 0.79 TSHR (0.52) NTRK1MAP2K7MAP2K4BRAF
SCHEMBL4009872 0.75 CSNK2A1 (0.55) KMT2APOLBCSNK2A1DYRK3MAP4K4
SCHEMBL4010682 0.75 ACLY (0.57) PIK3CDKMT2AACLYMEN1ROCK2
SCHEMBL1461004 0.74 NTRK1 (0.56) NTRK1MAP2K7MAP2K4
SCHEMBL1460972 0.74 MEN1 (0.55) NTRK1KMT2AACLYMEN1CSNK2A1
SCHEMBL4008270 0.74 MAPT (0.60) KMT2AMEN1MAP2K7MAP2K4CSNK2A1

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
Send feedback