SCHEMBL29950704

SCHEMBL29950704

Nc1ccnc2c(C=O)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
KMT2A Q03164 2/20 0.40
TRIM24 O15164 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
PIM3 Q86V86 6/20 0.34
PIM1 P11309 4/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
IMPDH2 P12268 2/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13909686 0.81 KDM5A (0.45) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29951570 0.79 CCR1 (0.43) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL13132297 0.79 TRIM24 (0.51) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29957656 0.76 ALDH1A1 (0.41) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29951162 0.76 PIM1 (0.48) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL20125333 0.69 KDM5A (0.55) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL1696892 0.68 KMT2A (0.55) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29954012 0.68 TRIM24 (0.64) KMT2ATRIM24TRIM33PIM3PIM1
SCHEMBL29956273 0.68 KMT2A (0.54) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29951398 0.68 PNP (0.48) ALDH1A1

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