SCHEMBL4703840

SCHEMBL4703840

COc1ccc(-c2cc(OC(=O)N[C@H]3CCNC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ CHEK1 O14757 10/20 0.42
▸ PDPK1 O15530 2/20 0.41
▸ CDK2AP1 O14519 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4706363 0.95 KDM4E (0.46) KDM4EPOLBCHEK1PDPK1MEN1
SCHEMBL4705770 0.95 CHEK1 (0.45) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL4210074 0.88 CHEK1 (0.54) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL4705874 0.88 CHEK1 (0.59) KDM4ECHEK1CDK2AP1RAB9ASMN1; SMN2
SCHEMBL4704507 0.84 CHEK1 (0.60) CHEK1CDK2AP1
SCHEMBL4705911 0.83 CHEK1 (0.55) KDM4ECHEK1CDK2AP1MEN1KMT2A
SCHEMBL4702659 0.83 CHEK1 (0.58) KDM4EPOLBCHEK1CDK2AP1MEN1
SCHEMBL4223869 0.83 CHEK1 (0.53) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL5784504 0.83 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4209769 0.83 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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