SCHEMBL2560779

SCHEMBL2560779

CC(=O)c1cccc(-c2ccncc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.51
KMO O15229 1/20 0.50
EIF4E P06730 1/20 0.47
FYN P06241 3/20 0.47
MAP4K4 O95819 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
KDR P35968 2/20 0.47
MAPK8 P45983 2/20 0.47
CDK8 P49336 2/20 0.47
ACVR1 Q04771 2/20 0.47
MST1R Q04912 2/20 0.47
ROCK1 Q13464 2/20 0.47
LRRK2 Q5S007 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL2556869 0.89 DDT (0.51) DDTKMOEIF4EFYNMAP4K4
SCHEMBL22467562 0.82 CDK8 (0.51) KMOFYNMAP4K4CLK4KDR
SCHEMBL7423738 0.82 RPS6KA3 (0.53) DDTKMORPS6KA3HTTALDH1A1
SCHEMBL2558137 0.82 MAPT (0.46) EIF4ERPS6KA3ALDH1A1MKNK2MEN1
SCHEMBL29952530 0.80 UCHL5 (0.54) DDTKMOEIF4EMAP4K4CLK4
SCHEMBL6792767 0.80 UCHL5 (0.54) DDTKMOEIF4EMAP4K4CLK4
SCHEMBL2222831 0.80 ALDH1A1 (0.50) RPS6KA3HTTALDH1A1FOLH1MEN1
SCHEMBL30705023 0.78 MKNK1 (0.56) KMOEIF4EHTTALDH1A1MKNK2
SCHEMBL10364611 0.78 MKNK1 (0.56) KMOEIF4EHTTALDH1A1MKNK2
Hydrochloric Acid SCHEMBL7279409 0.78 ALDH1A1 (0.49) RPS6KA3HTTALDH1A1FOLH1MEN1

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