SCHEMBL30385502

SCHEMBL30385502

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N[C@@H](C)CNC(=O)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.37
▸ TTK P33981 11/20 0.36
▸ AURKB Q96GD4 4/20 0.32
▸ LCK P06239 2/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ PTK2 Q05397 1/20 0.31

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
SCHEMBL22123824 1.00 PTK6 (0.37) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123823 1.00 PTK6 (0.37) PTK6TTKAURKBLCKMAPKAPK5
Formic Acid SCHEMBL30171911 0.98 PTK6 (0.36) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123534 0.92 PTK6 (0.33) PTK6TTKJAK2JAK1
SCHEMBL22123535 0.92 PTK6 (0.33) PTK6TTKJAK2JAK1
SCHEMBL28982229 0.90 JAK2 (0.35) PTK6TTKJAK2JAK1PTK2
SCHEMBL28982227 0.90 JAK2 (0.35) PTK6TTKJAK2JAK1PTK2
Formic Acid SCHEMBL30171767 0.90 PTK6 (0.32) PTK6TTKJAK2JAK1
Formic Acid SCHEMBL25170360 0.89 TTK (0.30) PTK6TTK
Formic Acid SCHEMBL25170361 0.89 TTK (0.30) PTK6TTK

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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