SCHEMBL5829454

SCHEMBL5829454

O=C1NCc2c1c(-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 15/20 1.00
CHEK1 O14757 12/20 0.67
PRKCA P17252 3/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCD Q05655 2/20 0.67
MEN1 O00255 1/20 0.67
PRKD3 O94806 1/20 0.67
PRKCG P05129 1/20 0.67
PRKCB P05771 1/20 0.67
CDK4 P11802 1/20 0.67
PRKCH P24723 1/20 0.67
PRKCI P41743 1/20 0.67
PRKCE Q02156 1/20 0.67
KMT2A Q03164 1/20 0.67
PRKCZ Q05513 1/20 0.67
PRKD1 Q15139 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
TNIK Q9UKE5 1/20 0.67
MAP3K9 P80192 1/20 0.62
MAP3K11 Q16584 1/20 0.62

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
SCHEMBL9834703 0.87 MAP3K11 (0.81) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL29414147 0.81 WEE1 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL6516584 0.81 WEE1 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL30250020 0.81 WEE1 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD
Water SCHEMBL29521708 0.80 WEE1 (0.97) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL9259880 0.76 ROCK2 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL9833379 0.76 WEE1 (0.61) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL5828952 0.76 WEE1 (0.83) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL5828696 0.75 WEE1 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD
SCHEMBL5829227 0.74 WEE1 (1.00) WEE1CHEK1PRKCAPRKCQPRKCD

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 1 patent. 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