SCHEMBL29954023

SCHEMBL29954023

Cn1nc(-c2ccccc2)c(C=O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
PRKCQ Q04759 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
BRD4 O60885 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 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
SCHEMBL15329462 0.87 PTGS2 (0.45) CA1CA2ALDH1A1LMNAPTGS2
SCHEMBL15331430 0.85 SMN1; SMN2 (0.41) CA1CA2ALDH1A1LMNAPTGS2
SCHEMBL15330647 0.84 ALDH1A1 (0.46) ALDH1A1LMNAPTGS2MEN1MAPT
SCHEMBL15331788 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAPTGS2MEN1MAPT
SCHEMBL2563069 0.84 MAPK14 (0.41) ALDH1A1PTGS2MAPTKMT2APOLB
SCHEMBL15332946 0.83 TDP2 (0.40) ALDH1A1MAPTMAPK1HTTPOLB
SCHEMBL15332163 0.82 CYP1A2 (0.45) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL15331899 0.82 ALDH1A1 (0.38) CLK4ALDH1A1LMNAPTGS2MAPK1
SCHEMBL15332139 0.81 KMT2A (0.45) ALDH1A1MEN1HTTKMT2AKDM4E
SCHEMBL15331583 0.81 TYR (0.40) ALDH1A1LMNAPTGS2MEN1MAPT

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 1 patent. 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