SCHEMBL4704879

SCHEMBL4704879

COc1cccc(-c2cc(C(=O)NC3CCN(C(=O)O)CC3)c(NC(N)=O)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.62
▸ CDK2AP1 O14519 5/20 0.54
▸ MAP4K4 O95819 1/20 0.52
▸ IKBKB O14920 1/20 0.52

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
SCHEMBL4705817 0.92 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL4210886 0.90 CHEK1 (0.55) CHEK1CDK2AP1IKBKB
SCHEMBL4220431 0.90 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4208149 0.89 CHEK1 (0.64) CHEK1CDK2AP1
SCHEMBL4218163 0.86 CHEK1 (0.60) CHEK1CDK2AP1
SCHEMBL4214940 0.86 CHEK1 (0.78) CHEK1CDK2AP1
SCHEMBL4706306 0.85 CHEK1 (0.54) CHEK1CDK2AP1IKBKB
SCHEMBL4213197 0.82 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4208325 0.82 CHEK1 (0.64) CHEK1CDK2AP1
SCHEMBL4702701 0.82 CHEK1 (0.64) CHEK1CDK2AP1MAP4K4IKBKB

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