SCHEMBL17574453

SCHEMBL17574453

CCCCCn1ccc2ncnc(N)c21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.47
▸ ADORA2A P29274 4/20 0.46
▸ KDR P35968 5/20 0.43
▸ TLR7 Q9NYK1 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL27684210 0.84 ADORA2A (0.36) ADORA2ATLR7ADORA2BADORA1
SCHEMBL27684232 0.82 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL27664616 0.82 TLR8 (0.44) TLR8ADORA2ATLR7ALDH1A1
SCHEMBL27684253 0.80 PI4KA (0.38) ADORA2AADORA2BADORA1
SCHEMBL27664613 0.79 HSP90B1 (0.37) ADORA2AADORA2BADORA1
SCHEMBL6269098 0.77 LMNA (0.52) TLR7ALDH1A1
SCHEMBL20848047 0.76 ADORA2A (0.52) TLR8ADORA2AKDRALDH1A1ADORA2B
SCHEMBL27684254 0.75 TLR7 (0.50) ADORA2ATLR7ADORA2BADORA1
SCHEMBL3474371 0.75 KDR (0.52) TLR8ADORA2AKDRALDH1A1ADORA2B
SCHEMBL27684236 0.73 IRAK4 (0.42) ADORA2AKDRADORA1

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
US-9284318-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2016-03-15 — — US disclosed
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