SCHEMBL13514399

SCHEMBL13514399

COc1nc(-c2ccc(N)cc2)cc(-c2ccccc2)c1C#N

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 12/20 0.84
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ ADORA1 P30542 5/20 0.61
▸ ADORA2A P29274 4/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ PIM1 P11309 1/20 0.56

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
SCHEMBL22208259 1.00 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442277 1.00 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22215650 0.92 SQOR (1.00) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208218 0.88 SQOR (0.77) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442355 0.88 SQOR (0.77) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208347 0.88 SQOR (0.86) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442436 0.88 SQOR (0.86) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208233 0.86 SQOR (1.00) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22215864 0.86 SQOR (1.00) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208252 0.86 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT

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
WO-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 — — WO disclosed
Send feedback