SCHEMBL30183757

SCHEMBL30183757

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 18/20 0.61
▸ AURKB Q96GD4 8/20 0.51
▸ LCK P06239 7/20 0.49
▸ TTK P33981 2/20 0.44

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
SCHEMBL22123379 1.00 PTK6 (0.61) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL22123489 0.99 PTK6 (0.60) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL30171826 0.99 PTK6 (0.60) PTK6AURKBLCKTTK
SCHEMBL22125269 0.97 PTK6 (0.58) PTK6AURKBLCKTTK
SCHEMBL30177860 0.97 PTK6 (0.58) PTK6AURKBLCKTTK
SCHEMBL22160883 0.94 PTK6 (0.59) PTK6AURKBLCKTTK
SCHEMBL22124913 0.93 PTK6 (0.53) PTK6AURKBLCKTTK
SCHEMBL22153194 0.93 PTK6 (0.53) PTK6AURKBLCKTTK
SCHEMBL22124976 0.93 PTK6 (0.53) PTK6AURKBLCKTTK
SCHEMBL30177795 0.93 PTK6 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
Send feedback