SCHEMBL15468683

SCHEMBL15468683

COC1=CC(c2ccc(N)cc2)=N/C1=C\c1[nH]c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.39
ASPH Q12797 2/20 0.39
BCL2 P10415 1/20 0.39
ADORA1 P30542 1/20 0.39
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 1/20 0.39
BAD Q92934 1/20 0.39
BCL2L10 Q9HD36 1/20 0.39
RET P07949 7/20 0.38
ALK Q9UM73 6/20 0.38
FLT3 P36888 4/20 0.38
CHEK1 O14757 1/20 0.36
KDR P35968 5/20 0.33
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5007929 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL5007902 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL5007931 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL5007903 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL4998204 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL4998209 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL14008562 0.88 BCL2L1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL4043315 0.88 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL14008571 0.88 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL4043318 0.88 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1

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-1836165-B1 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X PHARMACEUTICALS CANADA INC (CA) 2014-02-12 EP disclosed