SCHEMBL24910545

SCHEMBL24910545

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(CC2CCCN2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.40
▸ JAK2 O60674 14/20 0.36
▸ JAK1 P23458 14/20 0.36
▸ AURKB Q96GD4 2/20 0.35
▸ LCK P06239 2/20 0.35
▸ TTK P33981 2/20 0.35

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
SCHEMBL24910536 0.92 PTK6 (0.42) PTK6AURKBLCKTTK
SCHEMBL22139118 0.92 PTK6 (0.42) PTK6JAK2JAK1AURKBLCK
SCHEMBL22142840 0.92 PTK6 (0.42) PTK6JAK2JAK1AURKBLCK
SCHEMBL25445338 0.90 PTK6 (0.38) PTK6JAK2JAK1AURKBLCK
SCHEMBL24910533 0.89 PTK6 (0.42) PTK6JAK2JAK1AURKBLCK
SCHEMBL24910580 0.88 PTK6 (0.37) PTK6JAK2JAK1AURKBLCK
SCHEMBL24910354 0.88 PTK6 (0.41) PTK6JAK2JAK1AURKBLCK
SCHEMBL24910620 0.88 PTK6 (0.41) PTK6JAK2JAK1AURKBLCK
SCHEMBL22124325 0.88 PTK6 (0.46) PTK6JAK2JAK1AURKBLCK
SCHEMBL22123779 0.88 PTK6 (0.52) PTK6AURKBLCKTTK

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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