SCHEMBL22139104

SCHEMBL22139104

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2C[C@H](O)C(C)CN2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.39
▸ AURKB Q96GD4 2/20 0.34
▸ JAK2 O60674 12/20 0.34
▸ JAK1 P23458 11/20 0.34
▸ LCK P06239 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
SCHEMBL22154796 1.00 PTK6 (0.39) PTK6AURKBJAK2JAK1LCK
SCHEMBL22155092 0.93 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
SCHEMBL22124513 0.93 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
SCHEMBL24910632 0.93 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
SCHEMBL22139101 0.93 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
Formic Acid SCHEMBL25174741 0.91 PTK6 (0.39) PTK6AURKBJAK2JAK1LCK
SCHEMBL24910561 0.91 PTK6 (0.39) PTK6AURKBJAK2JAK1LCK
SCHEMBL25174740 0.90 PTK6 (0.39) PTK6AURKBJAK2JAK1LCK
SCHEMBL22124141 0.88 PTK6 (0.43) PTK6AURKBJAK2JAK1LCK
SCHEMBL30177742 0.88 PTK6 (0.43) PTK6AURKBJAK2JAK1LCK

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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