SCHEMBL30628652

SCHEMBL30628652

Cn1cc(Br)c2cc(N)cnc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
BRD4 O60885 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 2/20 0.30
MAP3K5 Q99683 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL26630200 1.00 PDK1 (0.34) PDK1HSP90AA1HSP90AB1BRD4HSD17B10
SCHEMBL21000380 0.81 BRD4 (0.33) PDK1HSP90AA1HSP90AB1BRD4GSK3B
SCHEMBL12599212 0.80 BRD4 (0.36) PDK1HSP90AA1HSP90AB1BRD4GSK3B
SCHEMBL31370721 0.80 BRD4 (0.35) PDK1HSP90AA1HSP90AB1BRD4HSD17B10
SCHEMBL24330125 0.79 PDK1 (0.36) PDK1BRD4HSD17B10GSK3BMAP3K5
SCHEMBL30731040 0.79 HSD17B10 (0.42) PDK1HSP90AA1HSP90AB1BRD4HSD17B10
SCHEMBL30611189 0.79 PDK1 (0.36) PDK1BRD4HSD17B10GSK3BMAP3K5
SCHEMBL15384517 0.79 HSD17B10 (0.42) PDK1HSP90AA1HSP90AB1BRD4HSD17B10
SCHEMBL31513446 0.79 BRD4 (0.50) BRD4GSK3BADORA2AADORA1
SCHEMBL22554076 0.79 BRD4 (0.50) BRD4GSK3BADORA2AADORA1

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
EP-4514780-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR Dong-A ST Co., Ltd. (KR) 2025-03-05 EP disclosed
WO-2023209651-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2023-11-02 WO disclosed