SCHEMBL24112612

SCHEMBL24112612

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[N+](C)(CC3CNC3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.35
▸ PTK6 Q13882 1/20 0.33
▸ AXL P30530 5/20 0.32
▸ PTK2 Q05397 5/20 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
SCHEMBL24112501 0.95 PTK2 (0.34) TTKPTK6AXLPTK2
Trifluoroacetic Acid SCHEMBL30386143 0.94 TTK (0.34) TTKPTK6
SCHEMBL25451174 0.94 TTK (0.39) TTKPTK6AXLPTK2
SCHEMBL24112321 0.92 TTK (0.33) TTKPTK6PTK2
Trifluoroacetic Acid SCHEMBL30385559 0.90 TTK (0.33) TTKPTK2
SCHEMBL24112510 0.90 PTK2 (0.37) TTKPTK6AXLPTK2
Trifluoroacetic Acid SCHEMBL30386136 0.90 TTK (0.39) TTKPTK6AXLPTK2
Trifluoroacetic Acid SCHEMBL30384678 0.89 TTK (0.33) TTKPTK6PTK2
SCHEMBL24112435 0.89 TTK (0.31) TTKPTK6PTK2
SCHEMBL24112422 0.88 PTK6 (0.32) TTKPTK6PTK2

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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