SCHEMBL22157206

SCHEMBL22157206

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCC(C)C)cc4)nccn23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.47
▸ PTK6 Q13882 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ CFTR P13569 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL22123392 0.89 TTK (0.51) TTKPTK6FYNCFTRKDM1A
SCHEMBL30171705 0.89 TTK (0.51) TTKPTK6FYNCFTRKDM1A
SCHEMBL22122904 0.88 FYN (0.52) TTKFYN
SCHEMBL30172068 0.88 FYN (0.52) TTKFYN
SCHEMBL22122845 0.88 TTK (0.50) TTKPTK6CFTRKDM1AHDAC1
SCHEMBL30171597 0.88 TTK (0.50) TTKPTK6CFTRKDM1AHDAC1
SCHEMBL22124603 0.88 TTK (0.50) TTKPTK6CFTRKDM1AHDAC1
SCHEMBL22154474 0.87 TTK (0.50) TTKPTK6KDM1AHDAC1
SCHEMBL22122908 0.84 TTK (0.52) TTKPTK6
SCHEMBL30172072 0.84 TTK (0.52) TTKPTK6

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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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