SCHEMBL5828014

SCHEMBL5828014

COc1ccccc1-c1cc2c(c3c1C(=O)NC3=O)c1cc(NC(C)=O)ccc1n2C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 13/20 0.55
CHEK1 O14757 10/20 0.55
ADRA2B P18089 1/20 0.46
CDK1 P06493 2/20 0.44
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5829211 0.88 WEE1 (0.56) WEE1CHEK1CDK1
SCHEMBL5829407 0.87 WEE1 (0.71) WEE1CHEK1CDK1
SCHEMBL5827723 0.86 WEE1 (0.54) WEE1CHEK1CDK1
SCHEMBL5827727 0.83 WEE1 (0.57) WEE1CHEK1CDK1
SCHEMBL5829083 0.82 WEE1 (0.58) WEE1CHEK1CDK1
SCHEMBL5829171 0.81 WEE1 (0.56) WEE1CHEK1CDK1KDM4E
SCHEMBL5829464 0.79 WEE1 (0.54) WEE1CHEK1CDK1MEN1KMT2A
SCHEMBL6230406 0.78 WEE1 (0.70) WEE1CHEK1CDK1
SCHEMBL5828251 0.74 WEE1 (0.74) WEE1CHEK1CDK1
SCHEMBL6209974 0.73 WEE1 (0.64) WEE1CHEK1CDK1

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