SCHEMBL25014186

SCHEMBL25014186

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.40
▸ MAPKAPK5 Q8IW41 3/20 0.38
▸ PTK6 Q13882 1/20 0.37
▸ SYK P43405 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
SCHEMBL30171886 0.92 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL24870806 0.92 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL22123002 0.86 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL22123975 0.85 PTK6 (0.45) TTKMAPKAPK5PTK6
Hydrochloric Acid SCHEMBL25176493 0.85 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL22124269 0.84 PTK6 (0.42) TTKMAPKAPK5PTK6
SCHEMBL22124272 0.84 PTK6 (0.42) TTKMAPKAPK5PTK6
SCHEMBL30177715 0.84 TTK (0.49) TTKMAPKAPK5PTK6SYK
SCHEMBL24112551 0.83 TTK (0.44) TTKMAPKAPK5PTK6
SCHEMBL22123451 0.83 TTK (0.48) TTKMAPKAPK5PTK6

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
Send feedback