SCHEMBL27387230

SCHEMBL27387230

CN1CCN(c2cc(F)cc(Nc3nccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)n3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.61
▸ JAK3 P52333 12/20 0.61
▸ LDLR P01130 2/20 0.54
▸ KIT P10721 2/20 0.54
▸ PCSK9 Q8NBP7 2/20 0.54
▸ CDK2 P24941 2/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ JAK1 P23458 7/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ OPA1 O60313 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ STK16 O75716 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.51
▸ MARK3 P27448 1/20 0.51

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
SCHEMBL27387280 0.90 JAK2 (0.61) JAK2JAK3LDLRKITPCSK9
SCHEMBL30788196 0.89 JAK2 (0.64) JAK2JAK3LDLRKITPCSK9
SCHEMBL27387217 0.89 JAK2 (0.64) JAK2JAK3LDLRKITPCSK9
SCHEMBL27387032 0.79 JAK2 (0.75) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL27387219 0.79 JAK2 (0.77) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL23275852 0.78 JAK2 (0.56) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL13253312 0.77 JAK2 (0.80) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL2865890 0.76 JAK2 (1.00) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL30052233 0.76 JAK2 (1.00) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL30788215 0.75 JAK2 (0.78) JAK2JAK3CDK2JAK1HDAC1

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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