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SCHEMBL28618260

SCHEMBL28618260

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(CC)NC(=O)CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.35
▸ PTK6 Q13882 1/20 0.33
▸ TTK P33981 6/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ AURKA O14965 1/20 0.31

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
SCHEMBL28605339 0.93 TTK (0.33) IGF1RPTK6TTKJAK2JAK1
SCHEMBL30171828 0.90 CDK2 (0.34) IGF1RPTK6TTKJAK2JAK1
SCHEMBL22124715 0.90 CDK2 (0.34) IGF1RPTK6TTKJAK2JAK1
SCHEMBL22124697 0.89 CDK2 (0.34) IGF1RPTK6TTKJAK2JAK1
SCHEMBL22125217 0.86 TTK (0.34) PTK6TTKJAK2JAK1MAPKAPK5
SCHEMBL24870944 0.86 TTK (0.35) PTK6TTKJAK2JAK1MAPKAPK5
SCHEMBL30171653 0.86 TTK (0.35) PTK6TTKJAK2JAK1MAPKAPK5
SCHEMBL22124792 0.85 MAPKAPK5 (0.34) PTK6TTKJAK2JAK1MAPKAPK5
SCHEMBL22123325 0.85 PTK6 (0.38) PTK6TTKJAK2JAK1MAPKAPK5
SCHEMBL30385313 0.85 PTK6 (0.38) PTK6TTKJAK2JAK1MAPKAPK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN claimed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
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