SCHEMBL9016396

SCHEMBL9016396

CCCCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.42
PPARG P37231 2/20 0.41
ACHE P22303 1/20 0.40
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR2 Q92731 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL9016542 0.94 PPARG (0.46) APLNRPPARGACHEAGTR1AGTR2
SCHEMBL9016466 0.91 APLNR (0.44) APLNRPPARGACHEAGTR1AGTR2
SCHEMBL9016540 0.91 PPARG (0.39) APLNRPPARGACHEAGTR1ESR2
SCHEMBL9016422 0.85 PPARG (0.48) APLNRPPARGACHEAGTR1AGTR2
SCHEMBL8877756 0.85 PPARG (0.55) PPARGACHEAGTR1AGTR2
SCHEMBL9016493 0.85 APLNR (0.42) APLNRPPARGACHEAGTR1AGTR2
SCHEMBL9016503 0.83 AGTR1 (0.48) APLNRPPARGACHEAGTR1AGTR2
SCHEMBL8872214 0.81 AGTR1 (0.45) APLNRACHEAGTR1AGTR2
SCHEMBL9016524 0.81 PPARG (0.41) APLNRPPARGACHEAGTR1ESR2
SCHEMBL8872118 0.79 PPARG (0.62) PPARGAGTR1AGTR2

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
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed