SCHEMBL4702638

SCHEMBL4702638

COc1ccc(-c2cc(C(=O)NC3CCN(OC(=O)OC(C)(C)C)CC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CHEK1 O14757 12/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ CDK2AP1 O14519 3/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ HPGDS O60760 1/20 0.34

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
SCHEMBL4213189 0.90 DYRK1A (0.46) KDM4EPOLBDYRK1A
SCHEMBL4703508 0.86 KDM4E (0.46) KDM4EPOLBCHEK1CDK2AP1CNR1
SCHEMBL4704937 0.84 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL5001102 0.84 USP30 (0.43) KDM4EPOLBCHEK1DYRK1ACDK2AP1
SCHEMBL4223869 0.83 CHEK1 (0.53) KDM4EPOLBCHEK1CDK2AP1HPGDS
SCHEMBL4706425 0.81 CHEK1 (0.51) KDM4ECHEK1CDK2AP1
SCHEMBL4210074 0.81 CHEK1 (0.54) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL4210048 0.80 CHEK1 (0.44) KDM4EPOLBCHEK1CDK2AP1CNR1
SCHEMBL4706306 0.80 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4707220 0.80 CHEK1 (0.53) 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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