Hymenialdisine

Hymenialdisine

SCHEMBL20720488

NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1.O=C1CCCO1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.61
CDK5 Q00535 8/20 0.61
CDK5R1 Q15078 8/20 0.61
CHEK1 O14757 8/20 0.61
CCNB2 O95067 7/20 0.61
CDK1 P06493 7/20 0.61
CCNB1 P14635 7/20 0.61
CCNB3 Q8WWL7 7/20 0.61
RAF1 P04049 4/20 0.61
MAPK1 P28482 4/20 0.61
MAP2K1 Q02750 4/20 0.61
PRKD3 O94806 3/20 0.61
PRKCG P05129 3/20 0.61
PRKCB P05771 3/20 0.61
PRKCA P17252 3/20 0.61
PRKCH P24723 3/20 0.61
PRKCI P41743 3/20 0.61
PRKCE Q02156 3/20 0.61
PRKCQ Q04759 3/20 0.61
PRKCZ Q05513 3/20 0.61

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
Hymenialdisine SCHEMBL1249687 0.90 CHEK2 (0.74) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL155899 0.90 CHEK2 (0.74) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL1249686 0.90 CHEK2 (0.74) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL6031276 0.87 CDK5 (0.69) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL18114524 0.76 CDK5 (1.00) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL15426167 0.76 CDK5 (1.00) CHEK2CDK5CDK5R1CHEK1CCNB2
Spongiacidin D SCHEMBL15426068 0.72 CDK5 (1.00) CHEK2CDK5CDK5R1CHEK1CCNB2
Hymenialdisine SCHEMBL24393900 0.70 CDK5 (0.76) CHEK2CDK5CDK5R1CHEK1CCNB2
Debromohymenialdisine SCHEMBL3578000 0.70 CDK5 (0.70) CHEK2CDK5CDK5R1CHEK1CCNB2
Debromohymenialdisine SCHEMBL4303192 0.70 CDK5 (0.70) CHEK2CDK5CDK5R1CHEK1CCNB2

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
US-10821141-B2 HSV-1 oncolytic virus therapies that specifically kill ALT dependent cancers SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-11-03 US disclosed
US-20190046594-A1 HSV-1 ONCOLYTIC VIRUS THERAPIES THAT SPECIFICALLY KILL ALT DEPENDENT CANCERS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-02-14 US disclosed