SCHEMBL19723158

SCHEMBL19723158

CCCC(CCO)Nc1nc(N)nc2ccc(C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 15/20 1.00
▸ CYP2D6 P10635 2/20 0.64
▸ DRD1 P21728 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ TLR8 Q9NR97 3/20 0.54
▸ TLR7 Q9NYK1 1/20 0.52

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
SCHEMBL13975891 1.00 KCNH2 (1.00) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL19723128 0.94 KCNH2 (0.88) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975728 0.93 KCNH2 (1.00) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975544 0.92 KCNH2 (0.84) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL19723159 0.91 KCNH2 (1.00) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975905 0.91 KCNH2 (1.00) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975834 0.87 KCNH2 (0.77) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975714 0.87 KCNH2 (0.77) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL19723033 0.87 KCNH2 (0.77) KCNH2CYP2D6DRD1HTR2AADORA1
SCHEMBL13975093 0.87 KCNH2 (1.00) KCNH2CYP2D6DRD1HTR2AADORA1

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-2709989-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2017-12-20 — — EP disclosed
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