SCHEMBL30788188

SCHEMBL30788188

N#C[C@@H]1CCCN1C(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.65
▸ JAK3 P52333 13/20 0.64
▸ JAK1 P23458 8/20 0.64
▸ TYK2 P29597 4/20 0.64
▸ HDAC1 Q13547 2/20 0.64
▸ PLK4 O00444 2/20 0.64
▸ CIT O14578 2/20 0.64
▸ GAK O14976 2/20 0.64
▸ ROCK2 O75116 2/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ CSNK2A2 P19784 2/20 0.64
▸ MARK3 P27448 2/20 0.64
▸ MAPK8 P45983 2/20 0.64
▸ NEK3 P51956 2/20 0.64
▸ IKBKE Q14164 2/20 0.64
▸ AAK1 Q2M2I8 2/20 0.64
▸ ULK3 Q6PHR2 2/20 0.64
▸ Q6ZSR9 Q6ZSR9 2/20 0.64
▸ MARK2 Q7KZI7 2/20 0.64
▸ ADCK1 Q86TW2 2/20 0.64

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
SCHEMBL30788210 1.00 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27388539 0.87 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30788201 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30788209 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387208 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387206 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL34463177 0.84 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387029 0.82 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2865873 0.80 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC1
Hydrochloric Acid SCHEMBL30221695 0.79 JAK2 (0.96) JAK2JAK3JAK1TYK2HDAC1

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
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