SCHEMBL4706425

SCHEMBL4706425

CCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCCN(OC(=O)OC(C)(C)C)C3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.51
▸ CDK2AP1 O14519 6/20 0.51
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

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
SCHEMBL4703475 0.95 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4213212 0.90 CHEK1 (0.52) CHEK1CDK2AP1
SCHEMBL4706732 0.87 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4702663 0.87 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4702760 0.87 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4702699 0.87 CHEK1 (0.54) CHEK1CDK2AP1HRH2HRH1KDM4E
SCHEMBL4211957 0.85 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4706488 0.83 CHEK1 (0.56) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4223931 0.83 CHEK1 (0.51) CHEK1CDK2AP1
SCHEMBL4706268 0.82 CHEK1 (0.68) 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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