SCHEMBL2559656

SCHEMBL2559656

O=Cc1cnc(Nc2ccccc2Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
IGF1R P08069 3/20 0.51
TSHR P16473 1/20 0.50
ULK1 O75385 1/20 0.44
AURKA O14965 2/20 0.43
PTK2 Q05397 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CNR2 P34972 1/20 0.42
KDR P35968 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CXCL8 P10145 1/20 0.41

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
SCHEMBL29951333 0.78 ULK1 (0.51) IGF1RTSHRULK1SMN1; SMN2NPC1
SCHEMBL18294909 0.77 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL22191092 0.77 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL15330429 0.76 RAB9A (0.53) IGF1RPTK2SMN1; SMN2NPC1RAB9A
SCHEMBL3956226 0.76 TSHR (0.62) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL23094602 0.75 HDAC6 (0.53) HDAC6IGF1RTSHRAURKAPTK2
SCHEMBL2561417 0.75 MAPK10 (0.49) IGF1RTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL5896103 0.74 GAA (0.46) TSHRAURKANPC1RAB9AALDH1A1
SCHEMBL18434160 0.73 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL4730603 0.73 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC6

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