SCHEMBL5828696

SCHEMBL5828696

O=C1NC(=O)c2c1c(-c1ccccc1-c1ccccc1)cc1[nH]c3ccc(O)cc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 1.00
CHEK1 O14757 17/20 1.00
PRKCQ Q04759 2/20 0.88
MEN1 O00255 1/20 0.88
PRKD3 O94806 1/20 0.88
PRKCG P05129 1/20 0.88
PRKCB P05771 1/20 0.88
CDK4 P11802 1/20 0.88
PRKCA P17252 1/20 0.88
PRKCH P24723 1/20 0.88
PRKCI P41743 1/20 0.88
PRKCE Q02156 1/20 0.88
KMT2A Q03164 1/20 0.88
PRKCZ Q05513 1/20 0.88
PRKCD Q05655 1/20 0.88
PRKD1 Q15139 1/20 0.88
TDP1 Q9NUW8 1/20 0.88
TNIK Q9UKE5 1/20 0.88
DAPK3 O43293 1/20 0.75
JAK2 O60674 1/20 0.75

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
SCHEMBL30250020 0.94 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL29414147 0.94 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL6516584 0.94 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
Water SCHEMBL29521708 0.93 WEE1 (0.97) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5828678 0.88 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5828819 0.87 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5828400 0.86 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5829050 0.86 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5829111 0.86 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5828528 0.86 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3

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
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