SCHEMBL4702912

SCHEMBL4702912

CCN(CC)CCOc1ccc(-c2cc(OC(=O)NC3CCNCC3)c(NC(N)=O)s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.78
▸ CDK2AP1 O14519 8/20 0.65

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
SCHEMBL4704634 0.95 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL4704519 0.93 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4704125 0.91 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL4706184 0.91 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL4703505 0.91 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL4706273 0.90 CHEK1 (0.76) CHEK1CDK2AP1
SCHEMBL4703075 0.88 CHEK1 (0.73) CHEK1CDK2AP1
SCHEMBL4212985 0.88 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL4702659 0.85 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL4702677 0.84 CHEK1 (0.55) 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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