SCHEMBL24718850

SCHEMBL24718850

CCCC[C@H](CO)CCc1nc(N)nc2cc(C(=O)OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.49
▸ TLR8 Q9NR97 11/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL24384574 0.86 TLR7 (0.38) TLR7TLR8
SCHEMBL29492937 0.79 TLR8 (0.65) TLR7TLR8
SCHEMBL22826036 0.79 TLR8 (0.65) TLR7TLR8
SCHEMBL24384588 0.79 TLR8 (0.65) TLR7TLR8
SCHEMBL22825827 0.78 KCNH2 (0.41) TLR7TLR8
SCHEMBL22825626 0.78 TLR7 (0.43) TLR7TLR8
SCHEMBL13975904 0.74 CYP2D6 (0.61) TLR7TLR8
SCHEMBL15502400 0.74 CYP2D6 (0.61) TLR7TLR8
SCHEMBL24719138 0.74 KCNH2 (0.37) TLR7TLR8ALDH1A1
SCHEMBL15502335 0.73 TLR7 (0.60) TLR7TLR8CYP2C9

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
EP-4059924-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2022-09-21 — — EP disclosed
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