SCHEMBL5828702

SCHEMBL5828702

COc1cccc(OC)c1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 1.00
CHEK1 O14757 18/20 1.00
MEN1 O00255 1/20 0.66
PRKD3 O94806 1/20 0.66
PRKCG P05129 1/20 0.66
PRKCB P05771 1/20 0.66
CDK4 P11802 1/20 0.66
PRKCA P17252 1/20 0.66
PRKCH P24723 1/20 0.66
PRKCI P41743 1/20 0.66
PRKCE Q02156 1/20 0.66
KMT2A Q03164 1/20 0.66
PRKCQ Q04759 1/20 0.66
PRKCZ Q05513 1/20 0.66
PRKCD Q05655 1/20 0.66
PRKD1 Q15139 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TNIK Q9UKE5 1/20 0.66

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
SCHEMBL5829841 0.93 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828846 0.93 WEE1 (1.00) WEE1CHEK1PRKCQ
SCHEMBL5829286 0.90 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829504 0.86 WEE1 (0.75) WEE1CHEK1
SCHEMBL5828440 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5827702 0.84 WEE1 (0.75) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5827939 0.84 WEE1 (0.75) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829176 0.84 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828031 0.83 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829249 0.83 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 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
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed
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