SCHEMBL2558595

SCHEMBL2558595

Cn1nc(C=O)c2c(=O)[nH]cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
BTK Q06187 1/20 0.41
PARP1 P09874 3/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PRKCQ Q04759 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CCNE2 O96020 1/20 0.36

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
SCHEMBL17292789 0.78 DAPK3 (0.54) ALDH1A1BTKPARP1DAPK3PRKD3
SCHEMBL12844979 0.74 ALDH1A1 (0.45) ALDH1A1BTKPARP1DAPK3PRKD3
SCHEMBL2078062 0.72 ALDH1A1 (0.43) ALDH1A1BTKPARP1DAPK3PRKD3
SCHEMBL409487 0.71 PIK3CD (0.51) ALDH1A1PARP1DYRK1ACDK2SRC
SCHEMBL28497771 0.68 ADORA2B (0.45) ALDH1A1BTKADORA3PDE4AADORA2A
SCHEMBL17870124 0.66 PARP1 (0.38) ALDH1A1BTKPARP1DAPK3PRKD3
SCHEMBL18704203 0.65 ALDH1A1 (0.44) ALDH1A1PARP1DAPK3PRKD3PIM1
SCHEMBL15265574 0.63 ALDH1A1 (0.44) ALDH1A1PARP1CCNE2CDK4CCND1
SCHEMBL20224898 0.63 CDK2 (0.44) ALDH1A1BTKPARP1DAPK3PRKD3
SCHEMBL18838194 0.62 PARP1 (0.42) ALDH1A1PARP1PIM1PIM3ADORA2A

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