SCHEMBL5829199

SCHEMBL5829199

O=Cc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.79
CHEK1 O14757 16/20 0.79
MEN1 O00255 1/20 0.73
PRKD3 O94806 1/20 0.73
PRKCG P05129 1/20 0.73
PRKCB P05771 1/20 0.73
CDK4 P11802 1/20 0.73
PRKCA P17252 1/20 0.73
PRKCH P24723 1/20 0.73
PRKCI P41743 1/20 0.73
PRKCE Q02156 1/20 0.73
KMT2A Q03164 1/20 0.73
PRKCQ Q04759 1/20 0.73
PRKCZ Q05513 1/20 0.73
PRKCD Q05655 1/20 0.73
PRKD1 Q15139 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
TNIK Q9UKE5 1/20 0.73

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
SCHEMBL5828790 0.89 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828479 0.88 WEE1 (0.82) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829839 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL30250020 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL6516584 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL29414147 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828330 0.84 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829160 0.84 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
Water SCHEMBL29521708 0.84 WEE1 (0.97) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828555 0.83 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG

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 3 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 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