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Sugi Predict / Compounds / SCHEMBL30386170

SCHEMBL30386170

SCHEMBL30386170

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1.CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CNC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.38
▸ PTK6 Q13882 2/20 0.36
▸ POLR1A O95602 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ ERBB3 P21860 1/20 0.34
▸ ERBB4 Q15303 1/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ AXL P30530 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ AURKB Q96GD4 1/20 0.32

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
SCHEMBL30403448 0.96 TTK (0.39) TTKPTK6POLR1AUSP30EGFR
SCHEMBL30386128 0.93 TTK (0.38) TTKPTK6POLR1AUSP30EGFR
SCHEMBL22123706 0.92 TTK (0.41) TTKPTK6PTK2AXLAURKB
SCHEMBL25173677 0.88 TTK (0.40) TTKPTK6AXL
SCHEMBL22123681 0.87 TTK (0.39) TTKPTK6AXL
SCHEMBL30385495 0.87 TTK (0.43) TTKAXL
SCHEMBL22123846 0.87 PTK2 (0.45) TTKPTK6PTK2AXL
SCHEMBL22124297 0.87 PTK2 (0.45) TTKPTK6PTK2AXL
SCHEMBL30187469 0.87 PTK2 (0.45) TTKPTK6PTK2AXL
SCHEMBL30385437 0.86 TP53 (0.40) PTK6PTK2

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
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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