SCHEMBL7850236

SCHEMBL7850236

CCCCc1nc2cccnc2n1Cc1ccc(C(=O)O)c(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.74
AGTR2 P50052 6/20 0.74
ENPP2 Q13822 2/20 0.55
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL7853305 0.90 AGTR1 (0.59) AGTR1AGTR2ENPP2LMNAALDH1A1
SCHEMBL9196687 0.85 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL7853694 0.83 AGTR1 (0.71) AGTR1AGTR2ENPP2LMNAALDH1A1
SCHEMBL7851373 0.82 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL9137163 0.81 AGTR1 (0.51) AGTR1AGTR2ENPP2LMNAALDH1A1
SCHEMBL9137175 0.81 AGTR1 (0.51) AGTR1AGTR2ENPP2LMNAALDH1A1
SCHEMBL9235936 0.80 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9096716 0.80 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9571356 0.79 AGTR1 (0.56) AGTR1AGTR2ENPP2
SCHEMBL9308166 0.79 AGTR1 (0.54) AGTR1AGTR2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399731-B2 Azaindenes ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
EP-0399731-B1 Azaindenes ZENECA LTD (GB) 1993-12-08 EP disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed