SCHEMBL22160902

SCHEMBL22160902

Cc1cc(Nc2nccn3c(-c4ccc(OCN)c(F)c4Cl)cnc23)ccc1C(=O)N1CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.49
▸ AURKB Q96GD4 7/20 0.40
▸ LCK P06239 6/20 0.40
▸ 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
SCHEMBL22160899 0.96 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL30177684 0.93 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL22124309 0.93 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL22124093 0.92 PTK6 (0.47) PTK6AURKBLCKTTK
SCHEMBL22161003 0.92 PTK6 (0.46) PTK6AURKBLCKTTK
Formic Acid SCHEMBL25174775 0.90 PTK6 (0.46) PTK6AURKBLCKTTK
Formic Acid SCHEMBL30171927 0.90 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL24870896 0.90 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22124113 0.89 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22139128 0.89 PTK6 (0.48) PTK6AURKBLCKTTK

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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