SCHEMBL7370515

SCHEMBL7370515

CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)c2ccc3c(N/C(N)=N/Cl)cncc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
IDH2 P48735 3/20 0.36
PIK3CD O00329 4/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3R3 Q92569 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PIK3C3 Q8NEB9 3/20 0.34
MTOR P42345 2/20 0.34
JAK2 O60674 2/20 0.33
STK25 O00506 1/20 0.33
BRAF P15056 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL7371248 0.89 SMN1; SMN2 (0.41) PLAUIDH2PIK3CDPIK3CAPIK3CB
SCHEMBL7590438 0.87 ALDH1A1 (0.45) PLAUIDH2PIK3CDPIK3CAPIK3CB
SCHEMBL7373058 0.87 ALDH1A1 (0.45) PLAUIDH2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL7366884 0.86 ALDH1A1 (0.44) PLAUIDH2PIK3CDPIK3CAPIK3CB
SCHEMBL7370512 0.82 PLAU (0.35) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7366260 0.80 PLAU (0.39) PLAUPDK1PDK2PDK3PDK4
SCHEMBL7374254 0.80 CASP3 (0.50) PLAU
SCHEMBL7371376 0.80 CASP3 (0.50) PLAU
SCHEMBL7050306 0.79 PLAU (0.37) PLAUPDK1PDK2PDK3PDK4
SCHEMBL7367638 0.78 S1PR1 (0.40) PLAUPDK1PDK2PDK3PDK4

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-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed