SCHEMBL30504285

SCHEMBL30504285

CN(C(=O)OC(C)(C)C)c1cccc2cccc-2c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.62
PAX8 Q06710 1/20 0.46
HSD17B2 P37059 11/20 0.46
HSD17B1 P14061 10/20 0.46
CREBBP Q92793 1/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KAT8 Q9H7Z6 1/20 0.38

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
SCHEMBL27618417 0.89 BRD4 (0.53) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL24394975 0.84 BRD4 (0.63) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL10210873 0.84 BRD4 (0.52) BRD4PAX8HSD17B2HSD17B1
SCHEMBL1317250 0.83 BRD4 (0.50) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL14909476 0.83 BRD4 (0.50) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL3910121 0.83 BRD4 (0.51) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL67115 0.83 BRD4 (0.51) BRD4PAX8CREBBPMEN1RAB9A
SCHEMBL30013638 0.83 BRD4 (0.51) BRD4PAX8CREBBPMEN1RAB9A
SCHEMBL14065550 0.83 BRD4 (0.51) BRD4PAX8HSD17B2HSD17B1CREBBP
SCHEMBL30455057 0.83 HTR3E (0.51) BRD4PAX8HSD17B2HSD17B1KMT2A

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
CN-116490507-A Heterocyclic condensation CDC7 kinase inhibitors for the treatment of cancer 薛定谔公司 2023-07-25 CN disclosed