SCHEMBL30168175

SCHEMBL30168175

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ TTK P33981 4/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ SYK P43405 6/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ AURKB Q96GD4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL22123142 1.00 PTK6 (0.39) PTK6DHODHTTKPDE4BPDE4D
Hydrochloric Acid SCHEMBL30386239 0.99 PTK6 (0.39) PTK6DHODHTTKPDE4BPDE4D
Hydrochloric Acid SCHEMBL22124453 0.99 PTK6 (0.39) PTK6DHODHTTKPDE4BPDE4D
SCHEMBL30385532 0.97 PTK6 (0.37) PTK6DHODHTTKPDE4BPDE4D
SCHEMBL22123373 0.93 PTK6 (0.39) PTK6TTKPDE4BPDE4DSYK
SCHEMBL30168207 0.93 PTK6 (0.39) PTK6TTKPDE4BPDE4DSYK
SCHEMBL22123585 0.93 PTK6 (0.38) PTK6DHODHTTKPDE4BPDE4D
SCHEMBL24940106 0.93 SYK (0.44) PTK6TTKPDE4BPDE4DSYK
SCHEMBL22123265 0.92 PTK6 (0.39) PTK6DHODHTTKPDE4BPDE4D
SCHEMBL24916600 0.92 PTK2 (0.39) PTK6TTKSYKMAPKAPK5

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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