SCHEMBL9851490

SCHEMBL9851490

CCCCc1nc2nccnc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.58
AGTR1 P30556 8/20 0.52
AGTR2 P50052 7/20 0.52
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ACHE P22303 1/20 0.47

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
SCHEMBL9851483 0.88 PPARG (0.67) PPARGAGTR1AGTR2PDE4APDE4B
SCHEMBL9851543 0.87 AGTR1 (0.66) PPARGAGTR1AGTR2PDE4APDE4B
SCHEMBL9843785 0.87 PDE4A (0.70) PPARGAGTR1AGTR2PDE4APDE4B
SCHEMBL8872871 0.85 AGTR2 (0.59) PPARGAGTR1AGTR2ACHE
SCHEMBL9854367 0.82 PPARG (0.61) PPARGAGTR1AGTR2ACHE
SCHEMBL9853635 0.82 PPARG (0.61) PPARGAGTR1AGTR2ACHE
SCHEMBL7851753 0.81 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9854260 0.81 PPARG (0.63) PPARGAGTR1AGTR2ACHE
SCHEMBL9853637 0.81 PPARG (0.74) PPARGAGTR1AGTR2PDE4APDE4B
SCHEMBL12716740 0.81 PPARG (0.61) PPARGAGTR1AGTR2ACHE

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-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed