SCHEMBL27656722

SCHEMBL27656722

COc1ccc(-c2cc(C(=O)NC3CCCCN(N4CCCCCC4)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.61
▸ CDK2AP1 O14519 8/20 0.55

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
SCHEMBL4216725 0.90 CHEK1 (0.75) CHEK1CDK2AP1
SCHEMBL5394578 0.90 CHEK1 (0.75) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4218123 0.89 CHEK1 (0.74) CHEK1CDK2AP1
SCHEMBL4218414 0.89 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL5397223 0.88 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL4220357 0.88 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL4212966 0.87 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL5394631 0.87 CHEK1 (0.79) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4211255 0.87 CHEK1 (0.58) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4212738 0.86 CHEK1 (0.78) 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
CN-1867557-A Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-11-22 — — CN disclosed
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