SCHEMBL27388317

SCHEMBL27388317

O=C(c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.71
JAK3 P52333 8/20 0.69
TYK2 P29597 5/20 0.61
JAK1 P23458 5/20 0.61
HDAC1 Q13547 4/20 0.61
HDAC6 Q9UBN7 3/20 0.61
CAMK2D Q13557 3/20 0.61
HDAC3 O15379 2/20 0.61
HDAC2 Q92769 2/20 0.61
NCOR1 O75376 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
BMPR1B O00238 1/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55
GAK O14976 1/20 0.55
OPA1 O60313 1/20 0.55
ROCK2 O75116 1/20 0.55
STK16 O75716 1/20 0.55
PRKD3 O94806 1/20 0.55
CSNK2A2 P19784 1/20 0.55

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
SCHEMBL27387029 0.90 JAK2 (0.76) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL27387228 0.86 JAK2 (0.67) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL13253260 0.84 JAK2 (0.80) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL27387226 0.84 JAK2 (0.62) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL4391405 0.83 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL2878561 0.82 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL27387219 0.82 JAK2 (0.77) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL30051921 0.82 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL8314274 0.81 JAK2 (0.72) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL14348405 0.81 CAMK2D (0.68) JAK2JAK3CAMK2DMAPK8MAPK10

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
WO-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 WO disclosed