SCHEMBL9709904

SCHEMBL9709904

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccncc2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP1 O94782 2/20 0.37
WDR48 Q8TAF3 2/20 0.37
ACP1 P24666 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3058746 0.89 AGTR1 (0.50) AGTR1AGTR2MEN1KMT2AACP1
SCHEMBL9709866 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709759 0.82 AGTR1 (0.45) AGTR1AGTR2MEN1KMT2AUSP1
SCHEMBL9709854 0.82 MEN1 (0.63) AGTR1AGTR2MEN1KMT2AACP1
SCHEMBL9709642 0.81 AGTR1 (0.48) AGTR1AGTR2MEN1KMT2A
SCHEMBL9709600 0.81 AGTR1 (0.48) AGTR1AGTR2MEN1KMT2A
Hydrochloric Acid SCHEMBL9378493 0.81 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9704665 0.81 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9709790 0.80 AGTR1 (0.47) AGTR1AGTR2MEN1KMT2A
SCHEMBL9709754 0.80 AGTR1 (0.47) 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