SCHEMBL23449268

SCHEMBL23449268

CC(=O)Nc1ncc2c(n1)n(C)c(=O)n2CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR1F P30939 1/20 0.40
▸ CRHR1 P34998 4/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PRKDC P78527 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL23449269 0.80 ADORA2B (0.43) HTR1AHTR1DHTR1BHTR1FFGFR1
SCHEMBL30110633 0.78 GRIN1 (0.48) HTR1AHTR1DHTR1BHTR1FALDH1A1
SCHEMBL23393003 0.78 GRIN1 (0.48) HTR1AHTR1DHTR1BHTR1FALDH1A1
SCHEMBL12432879 0.72 KDM4E (0.41) CRHR1CRHR2ALDH1A1KDM4EHSD17B10
SCHEMBL30012877 0.71 TLR7 (0.40) BTK
SCHEMBL12432959 0.71 CYP1A2 (0.43) PDE5APRKDCALDH1A1KDM4ETSHR
SCHEMBL23449145 0.70 PDE5A (0.39) CRHR1PDE5APDE4APDE4BPDE4C
SCHEMBL23449146 0.69 ADORA2B (0.40) FGFR1PDE4APDE4BPDE4CPDE4D
SCHEMBL15168798 0.69 PARG (0.42) CRHR1CRHR2PDE5APDE4APDE4B
SCHEMBL16510949 0.68 PARG (0.40) CRHR1CRHR2PDE5APDE4APDE4B

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-2021108649-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2021-06-03 — — WO disclosed
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