SCHEMBL30386128

SCHEMBL30386128

CC(C)(C)OC(=O)N1CC(N)C1.CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.38
▸ POLR1A O95602 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB3 P21860 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ PTK6 Q13882 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ JAK3 P52333 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ AXL P30530 4/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ RIPK1 Q13546 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 0.97 TTK (0.39) TTKPOLR1AEGFRERBB2ERBB3
SCHEMBL30386170 0.93 TTK (0.38) TTKPOLR1AEGFRERBB2ERBB3
SCHEMBL25173677 0.88 TTK (0.40) TTKPTK6AXL
SCHEMBL22154431 0.88 TTK (0.39) TTKPTK6AXL
SCHEMBL22123281 0.88 TTK (0.39) TTKPTK6AXL
SCHEMBL22139156 0.88 TTK (0.39) TTKPTK6AXL
SCHEMBL22123681 0.87 TTK (0.39) TTKPTK6AXL
SCHEMBL30385495 0.87 TTK (0.43) TTKAXL
SCHEMBL24940098 0.87 TTK (0.43) TTKAXL
SCHEMBL22123713 0.87 TTK (0.43) TTKAXL

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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