SCHEMBL22806058

SCHEMBL22806058

CCCCC(CO)Nc1nc(N)nc2cc(C(=O)NN)ccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.66
▸ TLR7 Q9NYK1 4/20 0.66
▸ KCNH2 Q12809 10/20 0.61
▸ CYP2D6 P10635 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ADORA1 P30542 1/20 0.50

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
SCHEMBL22805623 0.91 TLR8 (0.71) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL22826036 0.89 TLR8 (0.65) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL29492937 0.89 TLR8 (0.65) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL24384588 0.89 TLR8 (0.65) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL24384575 0.88 TLR8 (0.64) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL21325824 0.88 TLR8 (0.64) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL22806213 0.84 TLR8 (0.73) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL24384697 0.84 KCNH2 (0.85) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL21325638 0.84 KCNH2 (0.85) TLR8TLR7KCNH2CYP2D6DRD1
SCHEMBL24384557 0.83 KCNH2 (0.85) TLR8TLR7KCNH2CYP2D6DRD1

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-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
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