SCHEMBL9709643

SCHEMBL9709643

COc1ccc2nc(C)cc(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.47
AGTR2 P50052 10/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR35 Q9HC97 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9709790 0.88 AGTR1 (0.47) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709928 0.85 AGTR1 (0.44) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709866 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709886 0.84 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9709854 0.84 MEN1 (0.63) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709809 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL3058746 0.82 AGTR1 (0.50) AGTR1AGTR2MEN1KMT2A
SCHEMBL3051876 0.80 CD38 (0.46) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9464440 0.80 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9709692 0.80 AGTR1 (0.48) AGTR1AGTR2

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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed