SCHEMBL22142979

SCHEMBL22142979

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4P)cnc23)ccc1C(=O)NCCCCCC(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.42
▸ AURKB Q96GD4 6/20 0.38
▸ LCK P06239 4/20 0.36
▸ QPCT Q16769 3/20 0.36
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ FGFR3 P22607 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ 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
SCHEMBL24870782 0.95 PTK6 (0.43) PTK6AURKBLCKQPCTBCL9
SCHEMBL22139163 0.94 PTK6 (0.44) PTK6AURKBLCKQPCTBCL9
SCHEMBL22142817 0.92 PTK6 (0.44) PTK6AURKBLCKQPCTBCL9
SCHEMBL22142746 0.90 PTK6 (0.47) PTK6AURKBLCKQPCTFGFR3
SCHEMBL30183424 0.87 PTK6 (0.38) PTK6AURKBLCKQPCTBCL9
SCHEMBL22122833 0.87 PTK6 (0.38) PTK6AURKBLCKQPCTBCL9
SCHEMBL30183124 0.87 PTK6 (0.46) PTK6AURKBLCKFGFR3TTK
SCHEMBL22123102 0.87 PTK6 (0.38) PTK6AURKBLCKQPCTBCL9
SCHEMBL22154799 0.86 PTK6 (0.33) PTK6NAMPTTTKMAPKAPK5
SCHEMBL24870932 0.86 PTK6 (0.41) PTK6AURKBLCKQPCTBCL9

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 2 patents. 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
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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