SCHEMBL4746500

SCHEMBL4746500

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(C#N)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 11/20 0.58
PIK3CA P42336 3/20 0.56
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
NTRK1 P04629 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
KIT P10721 1/20 0.47
AAK1 Q2M2I8 1/20 0.47

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
SCHEMBL4745695 0.87 DYRK1B (0.64) TNIKCLK1DYRK1ADYRK2DYRK1B
SCHEMBL15557175 0.83 PIK3CA (0.61) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL4745741 0.80 CHUK (0.58) TNIKPIK3CADYRK1ANTRK1PRMT5
SCHEMBL4745720 0.77 PRMT5 (0.52) TNIKPIK3CADYRK1ANTRK1PRMT5
SCHEMBL3807981 0.77 SGK1 (0.67) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL3765020 0.76 CAMKK2 (0.75) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL3771136 0.76 TNIK (0.64) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL12763541 0.76 KIT (0.64) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL878650 0.75 TNIK (0.54) TNIKPIK3CACLK1DYRK1ADYRK2
SCHEMBL15557044 0.75 ALK (0.72) TNIKPIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO claimed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed