SCHEMBL24689593

SCHEMBL24689593

N#Cc1csc(-c2nc3n(n2)CCNC3)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PDE10A Q9Y233 2/20 0.38
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHEK1 O14757 1/20 0.30

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
SCHEMBL15933680 0.73 PDCD1 (0.46) PDCD1CD274PDE10ATLR8TLR7
SCHEMBL15933524 0.73 PDCD1 (0.50) PDCD1CD274TLR8TLR7
SCHEMBL15933691 0.72 PDCD1 (0.55) PDCD1CD274TLR8TLR7
SCHEMBL20141444 0.70 PDCD1 (0.59) PDCD1CD274TLR8TLR7
SCHEMBL24689591 0.70 PDE10A (0.37) PDE10A
SCHEMBL27062858 0.70 PDCD1 (0.39) PDCD1CD274
SCHEMBL15933623 0.69 PDCD1 (0.44) PDCD1CD274TLR8TLR7CHEK1
SCHEMBL5112559 0.68 PDCD1 (0.53) PDCD1CD274TLR8TLR7
SCHEMBL24689592 0.68 PDE10A (0.42) PDE10A
SCHEMBL15933532 0.68 PDCD1 (0.50) PDCD1CD274

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-2022194906-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-09-22 WO disclosed