SCHEMBL24112523

SCHEMBL24112523

CCCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.41
▸ TTK P33981 6/20 0.38
▸ BRAF P15056 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IDO1 P14902 3/20 0.34
▸ INSR P06213 1/20 0.34
▸ MET P08581 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL22125051 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5POLB
SCHEMBL22123059 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL30349820 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5POLB
SCHEMBL24940112 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
Hydrochloric Acid SCHEMBL25176396 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL25450711 0.91 PTK6 (0.38) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22125019 0.90 PTK6 (0.38) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22124783 0.90 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL25170444 0.89 PTK6 (0.43) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22122840 0.89 KDM4E (0.42) PTK6TTKMAPKAPK5METLCK

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
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