SCHEMBL30129

SCHEMBL30129

COc1cccc2c1c(Nc1cccc(Cl)c1Cl)nn2Cc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 18/20 0.50
P2RX7 Q99572 1/20 0.48
BUB1 O43683 1/20 0.46
CCR5 P51681 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42

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
SCHEMBL30708 0.86 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22446 0.83 CCR4 (0.55) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30728 0.78 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30085 0.78 CCR4 (0.67) CCR4CCR5FFAR4SLCO1B1
SCHEMBL17876 0.78 BUB1 (0.47) CCR4P2RX7BUB1
SCHEMBL30582 0.77 CCR4 (0.69) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357460 0.76 CCR4 (0.79) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30525 0.75 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185247 0.74 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186627 0.72 CYP19A1 (0.43) P2RX7BUB1

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-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed