SCHEMBL9028849

SCHEMBL9028849

CCCCc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
AGTR1 P30556 1/20 0.66
AGTR2 P50052 1/20 0.66
TLR7 Q9NYK1 15/20 0.58
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57

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
SCHEMBL9043935 0.96 KMT2A (0.65) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL9028574 0.92 KMT2A (0.62) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL8347167 0.88 AGTR2 (0.61) KMT2AAGTR1AGTR2TLR7PDE4A
SCHEMBL9029790 0.87 KMT2A (0.61) KMT2AAGTR1AGTR2TLR7
SCHEMBL29109918 0.86 AGTR1 (0.59) KMT2AAGTR1AGTR2TLR7
SCHEMBL9872947 0.76 TLR7 (0.56) TLR7
SCHEMBL13968058 0.74 TLR7 (0.77) TLR7
SCHEMBL21555503 0.73 TLR7 (0.68) TLR7
SCHEMBL30267787 0.73 TLR7 (1.00) TLR7
SCHEMBL16487370 0.73 TLR7 (1.00) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609289-B1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UPJOHN CO (US) 1996-07-17 EP disclosed
US-5442062-A Treating hypertension, congestive heart failure THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0609289-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME. UPJOHN CO (US) 1994-08-10 EP disclosed
EP-0540209-A1 Imidazole derivatives and pharmaceutical compositions containing the same THE UPJOHN COMPANY (US) 1993-05-05 EP disclosed
WO-1993008193-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME THE UPJOHN COMPANY (US) 1993-04-29 WO disclosed