SCHEMBL1708599

SCHEMBL1708599

CC(=O)O[C@H]1c2ccc(NCc3ccc(C)c(-c4ccc(N5CCOCC5)nc4)c3C)cc2OC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CNR2 P34972 2/20 0.36
CYP1A2 P05177 2/20 0.36
NR3C1 P04150 2/20 0.36
JAK1 P23458 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ZAP70 P43403 1/20 0.34
BRAF P15056 3/20 0.34
RAF1 P04049 2/20 0.34
EZH2 Q15910 2/20 0.34

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
SCHEMBL1707989 0.90 EED (0.38) MAPTBRAFRAF1EZH2MTOR
SCHEMBL1708222 0.88 STAT6 (0.36) BRAFRAF1EZH2MTORAOC3
SCHEMBL3719582 0.87 WNT3A (0.39) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL1707923 0.85 GAA (0.36) MAPTRAB9ABRAFRAF1MTOR
SCHEMBL1708225 0.84 KLKB1 (0.35) MAPTRAB9AEZH2MTOR
SCHEMBL13047215 0.80 FFAR1 (0.41) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL10010507 0.80 FFAR1 (0.47) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL1708221 0.76 INSR (0.34) MAPT
SCHEMBL3714484 0.76 WNT3A (0.38) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL1708457 0.75 STAT6 (0.37) MAPTBRAFRAF1EZH2MTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed