SCHEMBL31295986

SCHEMBL31295986

COc1cccc(-c2cc(N3CC4CCC4C3)nc(N)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.72
HRH4 Q9H3N8 2/20 0.51
HTR3A P46098 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH2 P25021 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NEK2 P51955 1/20 0.44

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
SCHEMBL603266 0.86 SCN2A (0.70) SCN2AHRH4HTR3AHRH3
SCHEMBL605612 0.86 SCN2A (0.61) SCN2AHRH4HSD17B10TSHRUSP2
SCHEMBL31295973 0.85 SCN2A (0.69) SCN2AHRH4HTR3AHSD17B10TSHR
SCHEMBL31295935 0.85 SCN2A (0.66) SCN2AHRH4HTR3AHSD17B10TSHR
Hydrochloric Acid SCHEMBL604645 0.85 SCN2A (0.60) SCN2AHRH4HSD17B10TSHRUSP2
SCHEMBL31296003 0.84 SCN2A (0.64) SCN2AHRH4HTR3AHSD17B10TSHR
SCHEMBL31295948 0.84 SCN2A (0.74) SCN2AHRH4HTR3AHSD17B10TSHR
SCHEMBL31295959 0.83 SCN2A (0.72) SCN2AHRH4HTR3AHSD17B10TSHR
SCHEMBL2166625 0.82 HRH4 (0.76) SCN2AHRH4HTR3A
SCHEMBL31295953 0.81 SCN2A (0.60) SCN2AHRH4HSD17B10TSHRUSP2

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-119119003-A Pyrimidine amine-containing compound, preparation method, pharmaceutical composition and application thereof 国科大杭州高等研究院 2024-12-13 CN claimed