SCHEMBL25444811

SCHEMBL25444811

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.44
▸ AURKB Q96GD4 5/20 0.41
▸ LCK P06239 5/20 0.41
▸ TTK P33981 3/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ SYK P43405 2/20 0.36

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
SCHEMBL24910529 0.94 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL25170317 0.92 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139158 0.92 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22123983 0.91 PTK6 (0.42) PTK6AURKBLCKTTKDRD2
SCHEMBL30178012 0.91 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22124899 0.90 PTK6 (0.56) PTK6AURKBLCKTTK
SCHEMBL30177799 0.90 PTK6 (0.56) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL25173591 0.89 PTK6 (0.55) PTK6AURKBLCKTTK
SCHEMBL24910536 0.89 PTK6 (0.42) PTK6AURKBLCKTTK
SCHEMBL22124078 0.89 PTK6 (0.43) PTK6AURKBLCKTTKMAPKAPK5

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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