SCHEMBL9709854

SCHEMBL9709854

COc1ccc2nc(C)cc(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GPR35 Q9HC97 1/20 0.59
MITF O75030 1/20 0.52
ACP1 P24666 4/20 0.48
AGTR1 P30556 3/20 0.45
AGTR2 P50052 3/20 0.45
NQO2 P16083 3/20 0.45
TACR3 P29371 1/20 0.45
PTPN11 Q06124 1/20 0.45
NCF1 P14598 1/20 0.44
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43

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 0.88 AGTR1 (0.50) MEN1KMT2AACP1AGTR1AGTR2
SCHEMBL9709759 0.86 AGTR1 (0.45) MEN1KMT2AGPR35ACP1AGTR1
SCHEMBL9709600 0.85 AGTR1 (0.48) MEN1KMT2AGPR35AGTR1AGTR2
SCHEMBL9709643 0.84 AGTR1 (0.47) MEN1KMT2AGPR35AGTR1AGTR2
SCHEMBL9710208 0.83 AGTR1 (0.47) MEN1KMT2AGPR35AGTR1AGTR2
SCHEMBL3051876 0.82 CD38 (0.46) MEN1KMT2AGPR35ACP1AGTR1
SCHEMBL9709904 0.82 AGTR1 (0.46) MEN1KMT2AACP1AGTR1AGTR2
SCHEMBL9709790 0.81 AGTR1 (0.47) MEN1KMT2AGPR35AGTR1AGTR2
SCHEMBL9709642 0.80 AGTR1 (0.48) MEN1KMT2AAGTR1AGTR2
SCHEMBL9709928 0.80 AGTR1 (0.44) MEN1KMT2AGPR35AGTR1AGTR2

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