SCHEMBL29907191

SCHEMBL29907191

COc1ccc(Cn2nc(I)c3nc(-c4cccc5c4CCC5C#N)c(OC)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 6/20 0.34
MC4R P32245 1/20 0.33
UCHL1 P09936 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CD274 Q9NZQ7 4/20 0.32
MAOB P27338 1/20 0.31
OPRK1 P41145 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 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
SCHEMBL23210993 1.00 BUB1 (0.34) BUB1MC4RUCHL1HCRTR1HCRTR2
SCHEMBL23210980 0.83 S1PR1 (0.32)
SCHEMBL23211130 0.82 NPC1 (0.34) KDM4EMAPT
SCHEMBL23210934 0.81 RET (0.35) BUB1CD274
SCHEMBL29907063 0.81 RET (0.35) BUB1CD274
SCHEMBL29907043 0.81 BUB1 (0.36) BUB1HCRTR1HCRTR2CNR1CNR2
SCHEMBL23210936 0.81 BUB1 (0.36) BUB1HCRTR1HCRTR2CNR1CNR2
SCHEMBL29907074 0.80 RET (0.33) BUB1CD274
SCHEMBL23211003 0.80 RET (0.33) BUB1CD274
SCHEMBL23211137 0.79 RET (0.35) UCHL1CD274

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-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed