SCHEMBL2559978

SCHEMBL2559978

Nc1ncc(C=O)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ATR Q13535 1/20 0.42
IKBKB O14920 1/20 0.42
SCN2A Q99250 2/20 0.42
MAP4K4 O95819 2/20 0.41
XDH P47989 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2557950 0.85 MAP4K4 (0.56) ALDH1A1POLBL3MBTL1PIK3CAMAP4K4
SCHEMBL2558901 0.82 CHEK2 (0.53) ATRMAP4K4
SCHEMBL2554637 0.81 ADORA1 (0.46) ADORA2AADORA1ALDH1A1POLBL3MBTL1
SCHEMBL29951522 0.79 MAP4K4 (0.51) MAP4K4PDGFRBKDR
SCHEMBL3458331 0.79 ADORA2A (0.52) ADORA2AADORA1ALDH1A1PIK3CDPIK3CA
SCHEMBL3146889 0.79 ADORA2A (0.52) ADORA2AADORA1PIK3CDPIK3CAPIK3CG
SCHEMBL2562225 0.77 PARP1 (0.49) ADORA2AADORA1ALDH1A1POLBL3MBTL1
SCHEMBL4592102 0.76 ALDH1A1 (0.58) ALDH1A1POLBL3MBTL1PIK3CDPIK3CA
SCHEMBL2558043 0.76 ALOX5AP (0.53) ADORA2AADORA1ALDH1A1POLBL3MBTL1
SCHEMBL15333189 0.75 ATR (0.42) ALDH1A1ATRCYP1A2CYP3A4CYP2D6

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