SCHEMBL1708134

SCHEMBL1708134

CCc1nc2cccc(C)c2n1-c1cccc(CNc2ccc3c(c2)OC(C)[C@H]3OC(C)=O)c1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.30
IGF1R P08069 1/20 0.30
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRB P10828 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
SCHEMBL1708155 0.90 NTRK1 (0.37) NTRK1NTRK2NPC1GAARAB9A
SCHEMBL1707997 0.86 PDE2A (0.33) NTRK1NTRK2NPC1RAB9ATHRB
SCHEMBL1708026 0.86 BMI1 (0.33) NTRK1NTRK2NPC1GAARAB9A
SCHEMBL1708438 0.85 GFER (0.38) NPC1GAARAB9AL3MBTL1
SCHEMBL1708363 0.85 INSR (0.34) INSRIGF1RNTRK1NTRK2NPC1
SCHEMBL1708254 0.85 MAPT (0.37) INSRIGF1RNPC1GAARAB9A
SCHEMBL1708631 0.84 NPC1 (0.35) NTRK1NTRK2NPC1GAARAB9A
SCHEMBL1708244 0.83 NPC1 (0.32) INSRIGF1RNPC1RAB9A
SCHEMBL1708111 0.82 NPC1 (0.33) NTRK1NTRK2NPC1GAARAB9A
SCHEMBL1708162 0.82 MAPT (0.34) NTRK1NTRK2NPC1GAARAB9A

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