SCHEMBL30869682

SCHEMBL30869682

c1cc2c(cc1-c1cncc3c1cnn3C1CCCCO1)Oc1cc(-c3cncc4c3cnn4C3CCCCO3)ccc1N2CCN1C[C@H]2C[C@@H]1CO2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
WNT1 P04628 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL30869532 0.86 ATR (0.38) ATRRXRARXRBRXRGWNT1
SCHEMBL30869800 0.80 RXRA (0.35) ATRRXRARXRBRXRGACVRL1
SCHEMBL30869614 0.79 RXRA (0.34) ATRRXRARXRBRXRGACVRL1
SCHEMBL30869510 0.77 BRAF (0.41) ATRWNT1GSK3BDYRK1AKCNH2
SCHEMBL30869493 0.72 KRAS (0.34) ATRRXRARXRBRXRG
SCHEMBL32682878 0.72 BRD4 (0.34) ATRGSK3BDYRK1AKCNH2
SCHEMBL30869618 0.72 BRAF (0.39) WNT1GSK3BDYRK1A
SCHEMBL30869683 0.69 GSK3B (0.42) WNT1GSK3BDYRK1AKCNH2MCHR1
SCHEMBL30869528 0.68 CD274 (0.39) ATRACVR1
SCHEMBL30869562 0.68 CHRNA7 (0.43) WNT1GSK3BDYRK1AKCNH2ACVR1

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