SCHEMBL2555665

SCHEMBL2555665

CN(C)CCCn1cc(B(O)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 1/20 0.35
PAICS P22234 1/20 0.35
RPS6KA2 Q15349 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
FLT3 P36888 4/20 0.32
TLR7 Q9NYK1 2/20 0.32
MET P08581 1/20 0.32
ROCK2 O75116 1/20 0.32
PHKG1 Q16816 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TERT O14746 1/20 0.32
NR1I2 O75469 1/20 0.31
POLB P06746 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL15330085 0.90 BRD4 (0.34) JAK2JAK1JAK3TYK2RPS6KA2
SCHEMBL23227826 0.81 L3MBTL1 (0.41) TLR7L3MBTL1POLB
SCHEMBL671710 0.78 L3MBTL1 (0.51) L3MBTL1POLB
SCHEMBL15331282 0.77 MAP3K5 (0.36) JAK2JAK1JAK3CYP2D6L3MBTL1
SCHEMBL12332962 0.76 JAK2 (0.38) JAK2JAK1JAK3TYK2PAICS
SCHEMBL2551385 0.75 KIT (0.37) L3MBTL1
SCHEMBL671403 0.75 MAPT (0.39) JAK2JAK1JAK3TYK2PAICS
SCHEMBL15334490 0.74 L3MBTL1 (0.33) L3MBTL1
SCHEMBL23227824 0.74 MAPT (0.33) L3MBTL1
SCHEMBL10264507 0.73 TLR7 (0.41) JAK2JAK1JAK3TYK2PAICS

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