SCHEMBL30488018

SCHEMBL30488018

CN1CCN(c2cc(N)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 1.00
HRH3 Q9Y5N1 1/20 1.00

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
SCHEMBL2169898 1.00 HRH4 (1.00) HRH4HRH3
SCHEMBL2166349 0.92 HRH4 (0.84) HRH4HRH3
SCHEMBL2167266 0.90 HRH4 (0.89) HRH4HRH3
SCHEMBL2166485 0.85 HRH4 (1.00) HRH4HRH3
SCHEMBL1616232 0.84 HRH4 (0.72) HRH4HRH3
SCHEMBL607332 0.84 HRH4 (0.96) HRH4HRH3
SCHEMBL605178 0.84 HRH4 (0.96) HRH4HRH3
SCHEMBL10849481 0.84 HRH4 (0.90) HRH4HRH3
SCHEMBL3286587 0.84 HRH4 (0.72) HRH4HRH3
SCHEMBL30296862 0.82 HRH4 (0.70) HRH4HRH3

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-113061116-B Aminopyrimidine compound, preparation method, composition and application thereof 上海医药工业研究院 2023-07-25 CN disclosed