SCHEMBL24911044

SCHEMBL24911044

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(CN)CC5)c(C)c4)nccn23)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 18/20 0.53
▸ LCK P06239 6/20 0.46
▸ AURKB Q96GD4 5/20 0.44
▸ 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
SCHEMBL22123956 0.93 PTK6 (0.52) PTK6LCKAURKBTTK
SCHEMBL22123974 0.92 PTK6 (0.48) PTK6LCKAURKBTTK
Hydrochloric Acid SCHEMBL30172070 0.91 PTK6 (0.47) PTK6LCKAURKBTTK
Formic Acid SCHEMBL22124250 0.91 PTK6 (0.49) PTK6LCKAURKBTTK
SCHEMBL22123966 0.89 PTK6 (0.49) PTK6LCKAURKBTTK
SCHEMBL22125126 0.89 PTK6 (0.46) PTK6LCKAURKBTTK
Hydrochloric Acid SCHEMBL30171611 0.89 PTK6 (0.48) PTK6LCKAURKBTTK
SCHEMBL30171676 0.89 PTK6 (0.57) PTK6LCKAURKB
SCHEMBL22125095 0.89 PTK6 (0.57) PTK6LCKAURKB
SCHEMBL22124169 0.89 PTK6 (0.48) 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
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