SCHEMBL30183585

SCHEMBL30183585

CNCCCNC(=O)C1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OCC#N)c(F)c5F)cnc34)cc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.38
▸ TTK P33981 3/20 0.35
▸ JAK2 O60674 12/20 0.33
▸ JAK1 P23458 12/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL22123847 1.00 PTK6 (0.38) PTK6TTKJAK2JAK1TBK1
SCHEMBL22124571 0.95 PTK6 (0.38) PTK6TTKTBK1LCKAURKB
SCHEMBL22123540 0.93 PTK6 (0.36) PTK6TTKJAK2JAK1LCK
SCHEMBL22123538 0.92 PTK6 (0.38) PTK6TTKJAK2JAK1LCK
SCHEMBL22125522 0.90 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL24870816 0.90 PTK6 (0.41) PTK6TTKJAK2JAK1LCK
SCHEMBL30172088 0.90 PTK6 (0.41) PTK6TTKJAK2JAK1LCK
SCHEMBL30171930 0.89 JAK1 (0.35) PTK6TTKJAK2JAK1
SCHEMBL22124606 0.89 PTK6 (0.37) PTK6TTKJAK2JAK1LCK
SCHEMBL22124000 0.89 PTK6 (0.39) PTK6TTKJAK2JAK1LCK

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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