SCHEMBL30869575

SCHEMBL30869575

Brc1ccc2c(c1)Oc1cc(Br)cnc1N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
DYRK1A Q13627 5/20 0.36
NOS1 P29475 2/20 0.33
METAP2 P50579 2/20 0.33
CSNK2A1 P68400 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 1/20 0.32
JAK2 O60674 2/20 0.32
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
PDPK1 O15530 1/20 0.32
DYRK1B Q9Y463 2/20 0.31
IDH1 O75874 2/20 0.31
BRD4 O60885 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL30869584 1.00 AHR (0.42) AHRDYRK1ANOS1METAP2CSNK2A1
SCHEMBL30869620 0.84 AHR (0.38) AHRDYRK1AIDO1JAK2DYRK1B
SCHEMBL30869424 0.84 AHR (0.38) AHRDYRK1AIDO1JAK2DYRK1B
SCHEMBL1985922 0.80 AHR (0.58) AHRCA12CA1CA2CA4
SCHEMBL29689592 0.80 AHR (0.58) AHRCA12CA1CA2CA4
SCHEMBL30869696 0.78 MMP12 (0.38) AHRBRD4ALOX5CHEK1ALDH1A1
SCHEMBL30869747 0.78 AHR (0.32) AHRCES1
SCHEMBL30869709 0.78 AHR (0.32) AHRCES1
Benzene SCHEMBL28149598 0.76 AHR (0.54) AHRDYRK1ACSNK2A1CA12CA1
SCHEMBL20842775 0.73 AHR (0.42) AHRDYRK1ANOS1IDO1TGM2

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-4583868-A2 DYNAMIN ACTIVATORS Walden Biosciences, Inc. (US) 2025-07-16 EP disclosed
WO-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed