SCHEMBL10299407

SCHEMBL10299407

COC(=O)CCc1nc(N)c2nc(C)n(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 10/20 0.38
▸ CCR9 P51686 1/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ TKT P29401 1/20 0.35
▸ CYP11B1 P15538 4/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2060420 0.91 TLR7 (0.40) TLR7CCR9ADORA1ADORA2AP2RX3
SCHEMBL2060315 0.90 ADORA2A (0.38) TLR7CCR9ADORA1ADORA2AP2RX3
SCHEMBL2060257 0.85 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL10174470 0.80 TSHR (0.40) TLR7ADORA1ADORA2ATSHRSMN1; SMN2
SCHEMBL2060146 0.78 TLR7 (0.42) TLR7ADORA1ADORA2ACYP11B1CYP11B2
SCHEMBL2060646 0.76 TLR7 (0.48) TLR7ADORA1ADORA2ACYP11B1CYP11B2
SCHEMBL2060250 0.73 TLR7 (0.46) TLR7ADORA1ADORA2A
SCHEMBL5464032 0.73 TLR7 (0.47) TLR7
SCHEMBL10309723 0.72 ADORA2A (0.44) TLR7ADORA1ADORA2A
SCHEMBL4734773 0.72 TSHR (0.51) CCR9CYP11B1CYP11B2TSHRSMN1; SMN2

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-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 — — EP disclosed
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