SCHEMBL21729600

SCHEMBL21729600

Cc1c(Br)c(CN)nn1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL19497390 0.80 GAA (0.45) GAAPOLBRAB9ANPC1LMNA
SCHEMBL22436865 0.80 GAA (0.32) GAAPOLBRAB9ANPC1LMNA
SCHEMBL13799634 0.72 HTT (0.40) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL22198889 0.71 SMN1; SMN2 (0.44) KDM4E
SCHEMBL14039865 0.70
SCHEMBL30615 0.69
SCHEMBL12926030 0.69
SCHEMBL28618701 0.69
SCHEMBL21835472 0.67 SMN1; SMN2 (0.38) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL21835474 0.65 SMN1; SMN2 (0.38) GAAKDM4EPOLBRAB9ANPC1

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
EP-3445767-B1 MACROCYCLIC MCL1 INHIBITORS FOR TREATING CANCER ASTRAZENECA AB (SE) 2020-02-19 EP disclosed