SCHEMBL8347167

SCHEMBL8347167

CCCCc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.61
AGTR1 P30556 1/20 0.61
KMT2A Q03164 1/20 0.52
TLR7 Q9NYK1 15/20 0.45
TLR8 Q9NR97 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL9028849 0.88 KMT2A (0.66) AGTR2AGTR1KMT2ATLR7PDE4A
SCHEMBL29109918 0.86 AGTR1 (0.59) AGTR2AGTR1KMT2ATLR7TLR8
SCHEMBL9043935 0.84 KMT2A (0.65) AGTR2AGTR1KMT2ATLR7PDE4A
SCHEMBL9028574 0.80 KMT2A (0.62) AGTR2AGTR1KMT2ATLR7PDE4A
SCHEMBL9029790 0.75 KMT2A (0.61) AGTR2AGTR1KMT2ATLR7
SCHEMBL9424026 0.74 PDE4A (0.46) AGTR2AGTR1TLR7PDE4APDE4B
SCHEMBL8568897 0.71 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL8346282 0.70 AGTR2 (0.51) AGTR2AGTR1
SCHEMBL8350558 0.68 AGTR1 (0.48) AGTR2AGTR1TLR7TLR8
SCHEMBL15703662 0.68 TLR7 (0.54) AGTR2AGTR1TLR7TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005105-A Process for producing imidazole derivative PHARMACIA & UPJOHN COMPANY (US) 1999-12-21 US disclosed
EP-0705266-B1 PROCESS FOR PRODUCING IMIDAZOLE DERIVATIVE UPJOHN CO (US) 1997-02-26 EP disclosed