SCHEMBL24910529

SCHEMBL24910529

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(CO)CC5)c(C)c4)nccn23)c(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.46
▸ LCK P06239 6/20 0.42
▸ AURKB Q96GD4 5/20 0.40

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
SCHEMBL25444811 0.94 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22139237 0.92 PTK6 (0.48) PTK6LCKAURKB
SCHEMBL25445315 0.91 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22124049 0.91 PTK6 (0.46) PTK6LCKAURKB
SCHEMBL22139090 0.90 PTK6 (0.58) PTK6LCKAURKB
Hydrochloric Acid SCHEMBL30172053 0.90 PTK6 (0.57) PTK6LCKAURKB
SCHEMBL22123982 0.89 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22139138 0.89 PTK6 (0.45) PTK6LCKAURKB
SCHEMBL22123748 0.89 PTK6 (0.45) PTK6LCKAURKB
SCHEMBL22124005 0.88 PTK6 (0.43) PTK6LCKAURKB

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-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
Send feedback