SCHEMBL21325822

SCHEMBL21325822

CCCC[C@H](CO)Nc1nc(N)nc2c(CCCC[C@H](CO)Nc3nc(N)nc4c(OC)cccc34)ccc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.51
▸ TLR8 Q9NR97 6/20 0.51
▸ KCNH2 Q12809 6/20 0.49
▸ CYP2D6 P10635 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
SCHEMBL21325654 0.87 TLR7 (0.65) TLR7TLR8KCNH2CYP2D6
SCHEMBL24719004 0.78 TLR8 (0.69) TLR7TLR8KCNH2CYP2D6
SCHEMBL21325598 0.78 TLR8 (0.69) TLR7TLR8KCNH2CYP2D6
SCHEMBL21325634 0.76 TLR8 (0.65) TLR7TLR8KCNH2CYP2D6
SCHEMBL24384695 0.76 TLR8 (0.65) TLR7TLR8KCNH2CYP2D6
SCHEMBL13975563 0.73 KCNH2 (0.85) TLR7TLR8KCNH2CYP2D6
SCHEMBL21325602 0.73 TLR8 (0.68) TLR7TLR8KCNH2CYP2D6
SCHEMBL21325649 0.73 KCNH2 (0.85) TLR7TLR8KCNH2CYP2D6
SCHEMBL24384587 0.72 KCNH2 (0.85) TLR7TLR8KCNH2
SCHEMBL22958997 0.72 KCNH2 (0.85) TLR7TLR8KCNH2

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-2019166532-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2019-09-06 — — WO disclosed
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