SCHEMBL12968544

SCHEMBL12968544

Cc1c(-c2ccc(CO)cc2)nc2[nH]c3ccccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ PDE8A O60658 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PDE9A O76083 1/20 0.39
▸ PDE8B O95263 1/20 0.39
▸ PDE6A P16499 1/20 0.39
▸ PDE6G P18545 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE6B P35913 1/20 0.39
▸ PDE6C P51160 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE7A Q13946 1/20 0.39

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
SCHEMBL12850767 0.85 MAPT (0.43) BRAFPDE10APDE2APDE6DPDE8A
SCHEMBL20893121 0.85 ADORA2A (0.47) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL16021113 0.81 ADORA3 (0.49) GABRPGABRDADORA3GABRA1GABRB1
SCHEMBL9416616 0.72 POLB (0.44) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL29033149 0.71 PDE2A (0.41) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL20893214 0.70 KDM4E (0.44) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL9416648 0.70 ADORA3 (0.44) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL9261073 0.69 KMT2A (0.45) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL9264212 0.69 ADORA3 (0.41) PDE10APDE2APDE6DPDE8APDE5A
SCHEMBL9264131 0.69 KMT2A (0.47) POLBMEN1KMT2AGABRPGABRD

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-2012130709-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-10-04 — — WO disclosed
Send feedback