SCHEMBL9709757

SCHEMBL9709757

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.52
AGTR2 P50052 8/20 0.52
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ACP1 P24666 3/20 0.44
NCF1 P14598 1/20 0.41

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
SCHEMBL9709673 0.92 PDE4A (0.47) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709710 0.92 PDE4A (0.51) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709682 0.89 ACP1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL3058746 0.88 AGTR1 (0.50) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9710183 0.88 ACP1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9710180 0.88 ACP1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709839 0.88 ACP1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709764 0.88 ACP1 (0.40) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709589 0.87 AGTR1 (0.49) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709841 0.86 AGTR1 (0.43) AGTR1AGTR2ACP1

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