SCHEMBL5829249

SCHEMBL5829249

COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 1.00
CHEK1 O14757 18/20 1.00

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
SCHEMBL5828031 0.92 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829286 0.86 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828572 0.84 WEE1 (0.72) WEE1CHEK1
SCHEMBL5828659 0.84 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828901 0.84 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828702 0.83 WEE1 (1.00) WEE1CHEK1
SCHEMBL5827939 0.82 WEE1 (0.75) WEE1CHEK1
SCHEMBL5829468 0.82 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828095 0.81 WEE1 (1.00) WEE1CHEK1
SCHEMBL5827702 0.80 WEE1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US claimed
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP claimed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO claimed
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed