SCHEMBL9709702

SCHEMBL9709702

Cc1cc(NCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ncccc2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.42
AGTR2 P50052 4/20 0.42
P2RX7 Q99572 2/20 0.37
AGT P01019 2/20 0.37
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
WNT3A P56704 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TOP1 P11387 1/20 0.34
CD38 P28907 1/20 0.34
CDC7 O00311 1/20 0.34

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
SCHEMBL9709718 0.91 AGTR1 (0.42) AGTR1AGTR2P2RX7AGTUSP1
SCHEMBL3061585 0.88 AGTR1 (0.44) AGTR1AGTR2AGTMEN1KMT2A
SCHEMBL9709679 0.82 CD38 (0.45) AGTR1AGTR2AGTMEN1KMT2A
SCHEMBL9592346 0.80 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL9709873 0.79 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9709709 0.79 AGTR1 (0.38) AGTR1AGTR2P2RX7AGTTOP1
SCHEMBL9709866 0.78 AGTR1 (0.47) AGTR1AGTR2CDC7
SCHEMBL9709627 0.76 AGTR1 (0.38) AGTR1AGTR2AGT
SCHEMBL9177563 0.76 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL9093218 0.75 AGTR1 (0.48) AGTR1AGTR2P2RX7AGTMEN1

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 1 patent. 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 disclosed