SCHEMBL20111517

SCHEMBL20111517

CCC(=O)NN1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.62
GNAO1 P09471 2/20 0.62
GNAI1 P63096 2/20 0.62
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL4539651 0.84 GNAI3 (0.73) GNAI3GNAO1GNAI1CHEK1AURKA
SCHEMBL28706412 0.82 GNAI3 (0.71) GNAI3GNAO1GNAI1CHEK1AURKA
SCHEMBL28716339 0.82 GNAI3 (0.71) GNAI3GNAO1GNAI1CHEK1AURKA
SCHEMBL16403334 0.81 GNAI3 (0.84) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL3875596 0.80 HTT (0.44) GNAI3GNAO1GNAI1KDM4EALDH1A1
SCHEMBL18502923 0.79 GNAI3 (0.53) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL4591725 0.78 HTT (0.47) GNAI3GNAO1GNAI1KDM4EALDH1A1
SCHEMBL14255477 0.77 CA12 (0.55) CA2KMT2ACA12CA1CA9
SCHEMBL15710418 0.76 GNAI3 (0.46) GNAI3GNAO1GNAI1CHEK1AURKA
SCHEMBL1394575 0.76 GNAI3 (0.49) GNAI3GNAO1GNAI1CHRM5CHRM3

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
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed