SCHEMBL24112489

SCHEMBL24112489

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1(C(=O)OC)CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ PTK2 Q05397 2/20 0.31
▸ TTK P33981 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL30386467 0.95 PTK6 (0.30) PTK6
SCHEMBL25451114 0.94 PTK6 (0.31) PTK6PTK2TTK
SCHEMBL25451152 0.91 PTK6 (0.35) PTK6PTK2TTK
SCHEMBL25170262 0.89 PTK6 (0.33) PTK6TTK
Trifluoroacetic Acid SCHEMBL30385667 0.88 PTK6 (0.33) PTK6PTK2TTK
SCHEMBL24112510 0.87 PTK2 (0.37) PTK6PTK2TTK
SCHEMBL24112401 0.87 PTK6 (0.33) PTK6PTK2TTK
SCHEMBL25173404 0.86 JAK1 (0.35) PTK6PTK2TTK
SCHEMBL25451174 0.86 TTK (0.39) PTK6PTK2TTK
SCHEMBL24112321 0.86 TTK (0.33) PTK6PTK2TTK

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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