SCHEMBL2554637

SCHEMBL2554637

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
ATR Q13535 1/20 0.45
XDH P47989 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAP4K4 O95819 1/20 0.43
BTK Q06187 1/20 0.42
DYRK1A Q13627 3/20 0.41
NPY5R Q15761 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TYRO3 Q06418 1/20 0.39
FYN P06241 2/20 0.39
DRD1 P21728 1/20 0.39
PDE10A Q9Y233 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL2554311 0.86 MAP4K4 (0.43) KCNH2SCN10AMAP4K4FYNCHEK2
SCHEMBL2559978 0.81 ADORA2A (0.49) ADORA1ADORA2AATRXDHMAP4K4
SCHEMBL2558901 0.79 CHEK2 (0.53) ATRMAP4K4FYNCHEK2
SCHEMBL2559138 0.79 ATR (0.46) ADORA1ADORA2AATRXDHKCNH2
SCHEMBL31356744 0.78 ALDH1A1 (0.48) ATRXDHKCNH2SCN10ADYRK1A
SCHEMBL15332445 0.78 XDH (0.44) ADORA1ADORA2AATRXDHKCNH2
SCHEMBL15330978 0.77 ALOX5AP (0.43) SCN10APOLBDRD1
SCHEMBL30046490 0.76 KDM4E (0.54) ADORA1ADORA2AATRXDHKCNH2
SCHEMBL29597243 0.76 CYP11B1 (0.50) XDHKCNH2SCN10ADYRK1ANPY5R
SCHEMBL29066294 0.76 CYP11B1 (0.50) XDHKCNH2SCN10ADYRK1ANPY5R

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