SCHEMBL23472593

SCHEMBL23472593

C=Cc1ncc(OCc2ccc(F)cc2)c(NCCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ TLR8 Q9NR97 5/20 0.39
▸ TLR7 Q9NYK1 5/20 0.39
▸ SRC P12931 1/20 0.37
▸ MERTK Q12866 3/20 0.36
▸ AXL P30530 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAS6 Q14393 1/20 0.35

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
SCHEMBL15469955 0.83 CYP1A2 (0.55) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL23472599 0.78 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL20219314 0.78 CYP1A2 (0.39) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL20219466 0.78 TLR7 (0.42) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL20219444 0.77 TLR7 (0.42) CYP1A2CYP3A4TLR8TLR7MERTK
SCHEMBL20219428 0.77 TLR7 (0.40) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL23472603 0.76 TLR8 (0.36) TLR8TLR7MERTKAXLTYRO3
SCHEMBL23472423 0.76 MEN1 (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20219264 0.76 GCK (0.42) CYP1A2CYP2D6CYP3A4TLR8TLR7
SCHEMBL23472434 0.76 CYP2D6 (0.40) CYP1A2CYP2D6CYP3A4TLR8TLR7

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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