SCHEMBL4724951

SCHEMBL4724951

COc1cc(OC)cc(-c2nn(-c3cc(-c4cccnn4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
GRM7 Q14831 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.30
SCN9A Q15858 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL4765008 0.95 NTRK1 (0.31) NTRK1
SCHEMBL4721949 0.89 NTRK1 (0.33) NTRK1
SCHEMBL4719906 0.87 BRD4 (0.34) GRM7
SCHEMBL4720876 0.85 CYP11B1 (0.33) NTRK1GRM7MAPTLRRK2
SCHEMBL4722103 0.84 L3MBTL1 (0.35) GRM7MEN1GAAMAPTKMT2A
SCHEMBL4719266 0.84 LRRK2 (0.33) NTRK1GRM7LRRK2
SCHEMBL14101738 0.84 LRRK2 (0.33) NTRK1GRM7LRRK2
SCHEMBL4764976 0.84 CNR1 (0.34) NTRK1GRM7LRRK2
SCHEMBL4723419 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL4723635 0.83 PDE4A (0.38) GRM7

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed