SCHEMBL2554450

SCHEMBL2554450

Nc1ncc(C=O)cc1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
PDE10A Q9Y233 1/20 0.35
BCAT1 P54687 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ATR Q13535 1/20 0.34
PIK3CA P42336 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CHEK2 O96017 1/20 0.33
GRK6 P43250 1/20 0.33
NPC1 O15118 1/20 0.33
REV1 Q9UBZ9 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
DYRK1A Q13627 2/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL2554196 0.88 USP7 (0.41) ATRNPC1
SCHEMBL2558901 0.77 CHEK2 (0.53) ATRCHEK2FYN
SCHEMBL29951470 0.76 PIK3CA (0.33) PIK3CA
SCHEMBL15333189 0.75 ATR (0.42) ATR
SCHEMBL2560338 0.75 ERN1 (0.39)
SCHEMBL2561948 0.74 MAP4K4 (0.54) CHEK2FYN
SCHEMBL15331733 0.73 FEN1 (0.39) PTPN11CCNE2CCNE1CDK2NPC1
SCHEMBL29951522 0.73 MAP4K4 (0.51) CHEK2FYN
SCHEMBL15330978 0.72 ALOX5AP (0.43)
SCHEMBL2559978 0.70 ADORA2A (0.49) ATRPIK3CANPC1PIK3CDPIK3CG

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