SCHEMBL5828901

SCHEMBL5828901

Nc1ccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c(Br)c1

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 17/20 1.00
MEN1 O00255 1/20 0.61
PRKD3 O94806 1/20 0.61
PRKCG P05129 1/20 0.61
PRKCB P05771 1/20 0.61
CDK4 P11802 1/20 0.61
PRKCA P17252 1/20 0.61
PRKCH P24723 1/20 0.61
PRKCI P41743 1/20 0.61
PRKCE Q02156 1/20 0.61
KMT2A Q03164 1/20 0.61
PRKCQ Q04759 1/20 0.61
PRKCZ Q05513 1/20 0.61
PRKCD Q05655 1/20 0.61
PRKD1 Q15139 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TNIK Q9UKE5 1/20 0.61

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
SCHEMBL5828659 0.87 WEE1 (1.00) WEE1CHEK1PRKCQ
SCHEMBL5828180 0.85 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829468 0.84 WEE1 (1.00) WEE1CHEK1PRKCQ
SCHEMBL5829249 0.84 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828095 0.84 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5829115 0.83 WEE1 (0.71) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828031 0.82 WEE1 (1.00) WEE1CHEK1
SCHEMBL5828003 0.81 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828819 0.81 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828330 0.81 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 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