SCHEMBL2555237

SCHEMBL2555237

O=Cc1ccccc1-c1nnc2n1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
HPGD P15428 4/20 0.34
KCNN4 O15554 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL26125901 0.78 PDCD1 (0.38) GSK3BDYRK1APDCD1CD274HTR2C
SCHEMBL706557 0.76 HPGD (0.56) GSK3BDYRK1APDCD1CD274HTR2C
SCHEMBL2559739 0.76 GSK3B (0.43) GSK3BDYRK1AHTR2CHTR2AHPGD
SCHEMBL928564 0.73 GSK3B (0.37) GSK3BDYRK1APDCD1CD274HPGD
SCHEMBL106779 0.71 TACR3 (0.52) TSHRTP53CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2565514 0.70 TACR3 (0.51) TSHRTP53CYP1A2CYP2D6CYP2C9
SCHEMBL2560375 0.70 MGLL (0.31) GSK3BDYRK1A
SCHEMBL108722 0.69 GSK3B (0.42) GSK3BDYRK1AHPGDHTTTHRB
SCHEMBL14863278 0.69 HPGD (0.55) GSK3BDYRK1APDCD1CD274HTR2A
SCHEMBL14863275 0.69 ALDH1A1 (0.44) GSK3BDYRK1APDCD1CD274HTR2C

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