SCHEMBL22147405

SCHEMBL22147405

COc1ccc2[nH]c(C3=CC(OCCOCCOc4ccnc(-c5nc6cc(OC)ccc6[nH]5)c4)=CCN3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 6/20 0.45
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RUNX1 Q01196 1/20 0.39
SYK P43405 5/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 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
SCHEMBL124426 0.87 CBFB (0.57) CBFBNPC1RAB9ARUNX1CCR1
SCHEMBL179158 0.78 CBFB (0.65) CBFBNPC1RAB9ARUNX1SYK
SCHEMBL179145 0.73 CBFB (0.56) CBFBNPC1RAB9ARUNX1PDPK1
SCHEMBL179150 0.73 CBFB (0.56) CBFBNPC1RAB9ARUNX1PDPK1
SCHEMBL179144 0.73 CBFB (0.56) CBFBNPC1RAB9ARUNX1PDPK1
SCHEMBL125168 0.70 CBFB (0.83) CBFBNPC1RAB9ARUNX1SYK
SCHEMBL179112 0.70 CBFB (0.62) CBFBNPC1RAB9ARUNX1PDPK1
SCHEMBL125632 0.69 CBFB (0.82) CBFBNPC1RAB9ARUNX1SYK
SCHEMBL8738510 0.69 CCR1 (0.54) CBFBNPC1RAB9ARUNX1SYK
SCHEMBL125696 0.67 CBFB (0.68) CBFBNPC1RAB9ARUNX1ALDH1A1

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-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed