SCHEMBL24112493

SCHEMBL24112493

CCOCCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ LCK P06239 4/20 0.33
▸ AURKB Q96GD4 3/20 0.33
▸ TTK P33981 4/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32

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
SCHEMBL25452721 0.93 PTK6 (0.40) PTK6LCKAURKBTTKMAPKAPK5
SCHEMBL24112577 0.93 PTK6 (0.38) PTK6IRAK4LCKAURKBTTK
SCHEMBL25450748 0.93 PTK6 (0.39) PTK6IRAK4LCKAURKBTTK
SCHEMBL28982214 0.93 PTK6 (0.38) PTK6IRAK4LCKAURKBTTK
Iodide SCHEMBL25173515 0.92 PTK6 (0.39) PTK6LCKAURKB
SCHEMBL22160965 0.91 PTK6 (0.40) PTK6LCKAURKBEGFRERBB2
SCHEMBL30172007 0.90 PTK6 (0.38) PTK6IRAK4EGFR
SCHEMBL22124671 0.90 PTK6 (0.38) PTK6IRAK4EGFR
SCHEMBL22122941 0.89 PTK6 (0.41) PTK6LCKAURKBTTKMAPKAPK5
SCHEMBL30171741 0.89 PTK6 (0.41) PTK6LCKAURKBTTKMAPKAPK5

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
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
Send feedback