SCHEMBL6230776

SCHEMBL6230776

O=C(CCN1CCCCC1)Nc1ccc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 11/20 0.60
CHEK1 O14757 9/20 0.60
CDK1 P06493 2/20 0.60
TERT O14746 7/20 0.59
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
PAK4 O96013 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
CDK2 P24941 1/20 0.56
LTK P29376 1/20 0.56
KDR P35968 1/20 0.56
MAP2K2 P36507 1/20 0.56
SYK P43405 1/20 0.56
CSNK1A1 P48729 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL6228726 0.85 WEE1 (0.64) WEE1CHEK1CDK1DAPK3JAK2
SCHEMBL5828649 0.85 WEE1 (0.62) WEE1CHEK1CDK1
SCHEMBL5829108 0.81 WEE1 (0.69) WEE1CHEK1CDK1DAPK3JAK2
SCHEMBL5828631 0.78 WEE1 (0.60) WEE1CHEK1CDK1DAPK3JAK2
SCHEMBL5828866 0.76 WEE1 (0.71) WEE1CHEK1CDK1DAPK3JAK2
SCHEMBL5339895 0.76 TERT (1.00) TERTALDH1A1
SCHEMBL5828985 0.75 WEE1 (1.00) WEE1CHEK1CDK1DAPK3JAK2
SCHEMBL5337897 0.75 TERT (1.00) TERT
SCHEMBL5829217 0.75 WEE1 (0.68) WEE1CHEK1DAPK3JAK2PAK4
SCHEMBL5828817 0.74 WEE1 (1.00) WEE1CHEK1CDK1DAPK3JAK2

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
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP claimed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO claimed