SCHEMBL13300320

SCHEMBL13300320

CCCCC[C@@H](CC)c1nc(N)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 15/20 0.45
▸ DCPS Q96C86 1/20 0.42
▸ TLR7 Q9NYK1 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30820583 0.83 TLR8 (0.47) TLR8DCPSTLR7TSHR
SCHEMBL30746985 0.74 GPBAR1 (0.41) TLR8ALDH1A1TSHRSMN1; SMN2
SCHEMBL30543203 0.73 TLR8 (0.41) TLR8ALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL30543224 0.73 GPBAR1 (0.40) TLR8ALDH1A1TSHRSMN1; SMN2
SCHEMBL30402892 0.73 TLR8 (0.41) TLR8ALDH1A1TSHRSMN1; SMN2
SCHEMBL4753647 0.72 DCPS (0.57) TLR8DCPSTLR7ALDH1A1TSHR
SCHEMBL1458588 0.72 TLR8 (0.57) TLR8DCPSTLR7TSHRATM
SCHEMBL22498767 0.71 TLR8 (0.58) TLR8DCPSTLR7ALDH1A1TSHR
SCHEMBL29377718 0.71 TLR8 (0.58) TLR8DCPSTLR7ALDH1A1TSHR
SCHEMBL28203089 0.71 TLR8 (0.58) TLR8DCPSTLR7ALDH1A1TSHR

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-2198867-A1 Pyrimidine-based compounds useful as GSK-3 inhibitors Vertex Pharmaceuticals, Inc. (US) 2010-06-23 — — EP disclosed
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