SCHEMBL24910956

SCHEMBL24910956

Cc1cc(Nc2nccn3c(C)cnc23)ccc1C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.45
▸ TTK P33981 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ DHFR P00374 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL25443942 0.91 PTK6 (0.55) PTK6LCKAURKB
SCHEMBL30171841 0.91 PTK6 (0.44) PTK6TTKSMN1; SMN2LCKALDH1A1
SCHEMBL22139061 0.91 PTK6 (0.44) PTK6TTKSMN1; SMN2LCKALDH1A1
SCHEMBL25445003 0.88 PTK6 (0.44) PTK6TTKLCKALDH1A1AURKB
SCHEMBL22139097 0.85 PTK6 (0.48) PTK6TTKLCKAURKB
SCHEMBL22123995 0.83 PTK6 (0.48) PTK6TTKLCKAURKB
SCHEMBL22139059 0.82 PTK6 (0.44) PTK6TTKSMN1; SMN2LCKALDH1A1
SCHEMBL30171781 0.82 PTK6 (0.49) PTK6TTKLCKAURKB
SCHEMBL22124042 0.82 PTK6 (0.49) PTK6TTKLCKAURKB
SCHEMBL30171977 0.82 PTK6 (0.44) PTK6TTKSMN1; SMN2LCKALDH1A1

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 3 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
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
Send feedback