SCHEMBL22448323

SCHEMBL22448323

CCCCNc1nc(C)nc2cc(C)sc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ CRHR1 P34998 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ TLR8 Q9NR97 8/20 0.38
▸ TLR7 Q9NYK1 3/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ NPY5R Q15761 1/20 0.36

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
SCHEMBL16441112 0.86 TLR8 (0.52) TLR8TLR7
SCHEMBL22448326 0.83 PRKCI (0.49) CYP3A4CRHR1KDM4ENPSR1L3MBTL1
SCHEMBL22448348 0.82 KCNH2 (0.36) KDM4ENPSR1L3MBTL1CHEK2FLT1
SCHEMBL16441151 0.77 CRHR1 (0.43) CYP3A4CRHR1TLR8TLR7
SCHEMBL20667974 0.77 KDM4E (0.51) CYP3A4CRHR1KDM4ENPSR1L3MBTL1
SCHEMBL17829983 0.69 PRKCI (0.51) TLR8TLR7
SCHEMBL5401620 0.69 ACP1 (0.46) CYP3A4CRHR1KDM4ENPSR1L3MBTL1
SCHEMBL20668004 0.69 ALDH1A1 (0.41) KDM4ENPSR1L3MBTL1CHEK2FLT1
SCHEMBL20667980 0.66 SMN1; SMN2 (0.53) CYP3A4CRHR1KDM4ENPSR1TLR8
SCHEMBL18511552 0.65 TLR7 (0.58) CYP3A4CRHR1KDM4ETLR8TLR7

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-3404031-B1 THIENO[3,2-D]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-09-23 — — EP disclosed
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