SCHEMBL22160899

SCHEMBL22160899

Cc1cc(Nc2nccn3c(-c4ccc(OCN)c(F)c4Cl)cnc23)ccc1C(=O)N1CCN(C(=O)[C@H]2CCNC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.46
▸ LCK P06239 7/20 0.38
▸ AURKB Q96GD4 6/20 0.38
▸ TTK P33981 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
SCHEMBL22160902 0.96 PTK6 (0.49) PTK6LCKAURKBTTK
SCHEMBL24870896 0.93 PTK6 (0.46) PTK6LCKAURKBTTK
SCHEMBL22139128 0.93 PTK6 (0.48) PTK6LCKAURKBTTK
SCHEMBL22124113 0.93 PTK6 (0.48) PTK6LCKAURKBTTK
SCHEMBL30177858 0.93 PTK6 (0.48) PTK6LCKAURKBTTK
SCHEMBL22161003 0.93 PTK6 (0.46) PTK6LCKAURKBTTK
SCHEMBL22142742 0.92 PTK6 (0.45) PTK6LCKAURKBTTK
SCHEMBL22124305 0.92 PTK6 (0.45) PTK6LCKAURKBTTK
SCHEMBL22123912 0.92 PTK6 (0.45) PTK6LCKAURKBTTK
Formic Acid SCHEMBL30171594 0.91 PTK6 (0.46) PTK6LCKAURKBTTK

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
Send feedback