SCHEMBL30410992

SCHEMBL30410992

CCOC(C)n1cc(-c2cccc3nc(N)nn23)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.49
NUDT1 P36639 4/20 0.49
EGLN2 Q96KS0 1/20 0.44
JAK2 O60674 6/20 0.43
JAK3 P52333 2/20 0.43
TYK2 P29597 1/20 0.43
CD274 Q9NZQ7 1/20 0.38
MAP3K5 Q99683 3/20 0.36
BRD4 O60885 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
SCHEMBL25231152 0.81 JAK2 (0.40) JAK1NUDT1JAK2JAK3TYK2
SCHEMBL23209298 0.81 JAK2 (0.42) JAK1NUDT1JAK2JAK3TYK2
SCHEMBL25228287 0.81 JAK2 (0.40) JAK1NUDT1JAK2JAK3TYK2
SCHEMBL25278273 0.79 JAK2 (0.38) JAK1JAK2JAK3TYK2CD274
SCHEMBL25675097 0.79 JAK2 (0.39) JAK1JAK2JAK3TYK2CD274
SCHEMBL23209265 0.78 JAK2 (0.44) JAK1JAK2JAK3TYK2CD274
SCHEMBL25231239 0.78 JAK2 (0.41) JAK1JAK2JAK3TYK2CD274
SCHEMBL25227853 0.78 JAK2 (0.38) JAK1EGLN2JAK2JAK3TYK2
SCHEMBL25224447 0.77 JAK2 (0.44) JAK1JAK2JAK3TYK2CD274
SCHEMBL3210559 0.77 JAK2 (0.58) JAK1NUDT1EGLN2JAK2JAK3

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-111320624-B Triazolopyridine and imidazopyridine compounds, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-05-12 CN disclosed