SCHEMBL2569093

SCHEMBL2569093

CC(C)CCn1nc(C(F)(F)F)c(C=O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL15331198 0.87
SCHEMBL2555366 0.85 KDM4E (0.33) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL29955381 0.84 KDM4E (0.34) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL756337 0.81 CYP1A2 (0.33) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL939241 0.80 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL15330148 0.80 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL2563126 0.79 SMN1; SMN2 (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E
SCHEMBL15331915 0.78 HTR2C (0.32)
SCHEMBL15331145 0.78 HTR2C (0.31)
SCHEMBL29953014 0.77 KDM4E (0.35) CYP1A2CYP2C19CYP2C9L3MBTL1KDM4E

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