SCHEMBL6209974

SCHEMBL6209974

CN(C)CCCC(=O)Nc1ccc2c(c1)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.64
CHEK1 O14757 18/20 0.64
CDK1 P06493 5/20 0.63
CCNB1 P14635 2/20 0.60

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
Hydrochloric Acid SCHEMBL5828854 0.99 WEE1 (0.63) WEE1CHEK1CDK1CCNB1
SCHEMBL5829002 0.86 WEE1 (0.66) WEE1CHEK1CDK1CCNB1
SCHEMBL5828649 0.85 WEE1 (0.62) WEE1CHEK1CDK1CCNB1
SCHEMBL5829407 0.85 WEE1 (0.71) WEE1CHEK1CDK1CCNB1
SCHEMBL6230406 0.84 WEE1 (0.70) WEE1CHEK1CDK1CCNB1
SCHEMBL5828848 0.81 WEE1 (0.71) WEE1CHEK1CDK1CCNB1
SCHEMBL5828251 0.81 WEE1 (0.74) WEE1CHEK1CDK1CCNB1
SCHEMBL5828897 0.81 WEE1 (0.75) WEE1CHEK1CDK1CCNB1
SCHEMBL5829850 0.79 WEE1 (0.70) WEE1CHEK1CDK1CCNB1
SCHEMBL5828662 0.78 WEE1 (0.64) WEE1CHEK1CDK1CCNB1

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