SCHEMBL6228285

SCHEMBL6228285

COc1ccc([N+](=O)[O-])cc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.72
CHEK1 O14757 16/20 0.70

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
SCHEMBL5828572 0.92 WEE1 (0.72) WEE1CHEK1
SCHEMBL6227971 0.87 WEE1 (0.73) WEE1CHEK1
SCHEMBL5829004 0.85 WEE1 (0.78) WEE1CHEK1
SCHEMBL5828676 0.84 WEE1 (0.84) WEE1CHEK1
SCHEMBL5828031 0.84 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829088 0.83 WEE1 (0.78) WEE1CHEK1
SCHEMBL5829115 0.83 WEE1 (0.71) WEE1CHEK1
SCHEMBL5829286 0.83 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829042 0.80 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828702 0.79 WEE1 (1.00) WEE1CHEK1

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-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP disclosed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO disclosed