SCHEMBL29987682

SCHEMBL29987682

CC(C)(C)[Si](C)(C)OCCCCOc1cccc(Br)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.54
DUT P33316 2/20 0.37
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35

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
SCHEMBL24742213 1.00 HTR7 (0.54) HTR7DUTCDK9DYRK1ADYRK2
SCHEMBL23355733 0.93 HTR7 (0.55) HTR7DUTCDK9DYRK1ADYRK2
SCHEMBL17441587 0.81 KCNH2 (0.39) HTR7DUT
SCHEMBL27176873 0.79 HTR7 (0.38) HTR7
SCHEMBL27176807 0.78 HTR7 (0.37) HTR7
SCHEMBL23364685 0.78 HTR7 (0.63) HTR7CDK9DYRK1ADYRK2
SCHEMBL29932740 0.78 HTR7 (0.63) HTR7CDK9DYRK1ADYRK2
SCHEMBL22773730 0.78 DUT (0.38) DUT
SCHEMBL24015238 0.77 HTR7 (0.45) HTR7
SCHEMBL27176934 0.77 HTR7 (0.36) HTR7

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
WO-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 WO disclosed