SCHEMBL2561077

SCHEMBL2561077

CCC(C=O)(CC)CN(C)Cc1cc(Br)cs1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL2560906 0.82 HSP90AA1 (0.32) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29953784 0.74 PYCR1 (0.35) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29955697 0.72 HSP90AA1 (0.33) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL15332632 0.66 HSP90AA1 (0.30) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29956679 0.63
SCHEMBL256012 0.63
SCHEMBL1400848 0.63 LMNA (0.42) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29957280 0.63 CYP2A6 (0.44) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29952071 0.62 SLC6A4 (0.38) HSP90AA1HSP90AB1CYP2C9CYP2C19PDK1
SCHEMBL29132418 0.62 MGMT (0.38)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed