SCHEMBL2562225

SCHEMBL2562225

Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ATR Q13535 1/20 0.43
IKBKB O14920 1/20 0.43
SCN2A Q99250 2/20 0.43
GRIN2B Q13224 6/20 0.42
GRIN1 Q05586 5/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL2560884 0.84 MAP4K4 (0.54) PIK3CAGRIN2BGRIN1CCNT1CCNA2
SCHEMBL2556015 0.82 CHEK2 (0.52) ATRMAPT
SCHEMBL28307660 0.81 PARP1 (0.51) PARP1PIK3CDPIK3CAPIK3CGALDH1A1
SCHEMBL29636028 0.81 PARP1 (0.51) PARP1PIK3CDPIK3CAPIK3CGALDH1A1
SCHEMBL2559138 0.80 ATR (0.46) ADORA2AADORA1ATRGRIN2BGRIN1
SCHEMBL12427761 0.80 GRIN2B (0.47) PARP1ALDH1A1GAAATMGRIN2B
SCHEMBL29955261 0.79 MAP4K4 (0.49) CDK2MAPT
SCHEMBL14276837 0.79 MAP4K4 (0.49) CDK2MAPT
SCHEMBL18615838 0.77 MAP4K4 (0.51) CDK2MAPT
SCHEMBL29955340 0.77 ALOX5AP (0.42) ALDH1A1GAAPOLBL3MBTL1

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