SCHEMBL27387198

SCHEMBL27387198

COc1cc(N2CCOCC2)ccc1Nc1nccc(-c2ccc(C(=O)NCC(F)(F)F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.58
▸ JAK3 P52333 11/20 0.58
▸ JAK1 P23458 5/20 0.58
▸ TYK2 P29597 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ SIK2 Q9H0K1 2/20 0.58
▸ SIK3 Q9Y2K2 2/20 0.58
▸ BMPR1B O00238 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CIT O14578 1/20 0.58
▸ GAK O14976 1/20 0.58
▸ OPA1 O60313 1/20 0.58
▸ ROCK2 O75116 1/20 0.58
▸ STK16 O75716 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ CSNK2A2 P19784 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ MARK3 P27448 1/20 0.58
▸ BMPR1A P36894 1/20 0.58
▸ TGFBR1 P36897 1/20 0.58

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
SCHEMBL34463171 1.00 JAK2 (0.58) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387277 0.89 JAK2 (0.59) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387032 0.85 JAK2 (0.75) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387219 0.83 JAK2 (0.77) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387280 0.81 JAK2 (0.61) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30788215 0.78 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387422 0.78 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4387513 0.76 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL16156897 0.76 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30788196 0.75 JAK2 (0.64) 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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