SCHEMBL4702760

SCHEMBL4702760

CCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCCN(OC(=O)OC(C)(C)C)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.66
▸ CDK2AP1 O14519 7/20 0.66

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
SCHEMBL4706732 1.00 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4702663 1.00 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4706268 0.95 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4211991 0.89 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4997512 0.89 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL5007408 0.89 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4706425 0.87 CHEK1 (0.51) CHEK1CDK2AP1
SCHEMBL4705745 0.87 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4702670 0.87 CHEK1 (0.57) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4210289 0.85 CHEK1 (0.63) CHEK1CDK2AP1

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
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
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