SCHEMBL2557546

SCHEMBL2557546

Nc1ncc(B(O)O)nc1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NUDT1 P36639 3/20 0.31
SCN9A Q15858 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL13745731 0.78 ADORA2A (0.40) PIK3CAADORA2AALDH1A1MAPTL3MBTL1
SCHEMBL3134237 0.77 ADORA2A (0.46) PIK3CAADORA2AALDH1A1MAPTL3MBTL1
SCHEMBL13575846 0.76 PIK3CA (0.41) PIK3CAADORA2AALDH1A1MAPTL3MBTL1
SCHEMBL2559462 0.75 PIK3CA (0.40) PIK3CA
SCHEMBL29957943 0.75 PIK3CA (0.34) PIK3CAMAPTCASP1
SCHEMBL23794062 0.72 MGMT (0.47) HSD17B10
SCHEMBL24370293 0.71 L3MBTL1 (0.40) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL28022144 0.68 PIK3CA (0.41) PIK3CAADORA2AALDH1A1MAPTL3MBTL1
SCHEMBL23116220 0.67 DGAT1 (0.36) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL13575901 0.66 ATR (0.44) PIK3CAADORA2ANUDT1SCN9A

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