SCHEMBL28569780

SCHEMBL28569780

CCCCCCC(c1nc(N)nc(N)n1)n1ccnc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 3/20 0.36
ADA P00813 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28577363 0.99 TSHR (0.40) TSHRALDH1A1POLBKMT2ATLR8
SCHEMBL28564369 0.95 TSHR (0.40) TSHRALDH1A1POLBKMT2ATLR8
SCHEMBL28563331 0.89 TSHR (0.42) TSHRALDH1A1POLBKMT2ATLR8
SCHEMBL28564256 0.85 TLR7 (0.37) TSHRTLR8ADATLR7
SCHEMBL28564247 0.85 TLR7 (0.37) TSHRTLR8ADATLR7
SCHEMBL28563247 0.85 TLR7 (0.37) TSHRTLR8ADATLR7
SCHEMBL28569872 0.85 TLR7 (0.37) TSHRTLR8ADATLR7
SCHEMBL28563811 0.83 TSHR (0.44) TSHRALDH1A1POLBKMT2A
SCHEMBL28560953 0.82 TLR7 (0.37) TSHRTLR8ADATLR7
SCHEMBL28566394 0.82 TLR7 (0.37) TSHRTLR8ADATLR7

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
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed