SCHEMBL2558161

SCHEMBL2558161

COc1cccc(-c2ncc(B(O)O)cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
ENPP2 Q13822 1/20 0.57
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CYP19A1 P11511 2/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
VDR P11473 1/20 0.43
CYP2B6 P20813 1/20 0.43

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
SCHEMBL27807278 0.82 DYRK1A (0.69) DYRK1ACLK4PDGFRBPDGFRACYP19A1
SCHEMBL15331978 0.80 ENPP2 (0.57) CLK4ENPP2PDGFRBPDGFRANPC1
SCHEMBL17864721 0.80 DYRK1A (0.71) DYRK1ACLK4PDGFRBPDGFRACYP19A1
SCHEMBL2559693 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL27785384 0.79 DYRK1A (0.69) DYRK1ACLK4PDGFRBPDGFRACYP19A1
SCHEMBL26916452 0.79 FYN (0.60) DYRK1ACLK4ENPP2FYNADORA2A
SCHEMBL28060965 0.78 ENPP2 (0.85) DYRK1ACLK4ENPP2CYP1A2CYP3A4
SCHEMBL24785094 0.78 CLK4 (0.63) DYRK1ACLK4PDGFRBPDGFRACYP19A1
SCHEMBL22404979 0.78 ENPP2 (0.57) DYRK1ACLK4ENPP2NPC1RAB9A
SCHEMBL30091766 0.78 ENPP2 (0.57) DYRK1ACLK4ENPP2NPC1RAB9A

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