SCHEMBL7370512

SCHEMBL7370512

CC(C)(C)OC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc3c(N(Cl)C(=N)N)cncc3c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.35
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 3/20 0.34
PIK3C3 Q8NEB9 3/20 0.34
MTOR P42345 2/20 0.34
BRAF P15056 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
SFRP1 Q8N474 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7371245 0.89 SMN1; SMN2 (0.39) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7373053 0.87 ALDH1A1 (0.45) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6433528 0.87 ALDH1A1 (0.45) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7590429 0.87 ALDH1A1 (0.45) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL6433791 0.86 ALDH1A1 (0.44) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL6434299 0.86 ALDH1A1 (0.44) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7370515 0.82 PLAU (0.37) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6434837 0.80 PLAU (0.37) PLAUALDH1A1KDM4E
SCHEMBL6965041 0.79 F2 (0.35) PLAUALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL6432755 0.79 F2 (0.35) PLAUALDH1A1KDM4EMAPT

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