SCHEMBL30386198

SCHEMBL30386198

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1CN1CCN(C(=O)n2ccnc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ PTK6 Q13882 1/20 0.38
▸ TTK P33981 12/20 0.37
▸ MAPKAPK5 Q8IW41 2/20 0.35
▸ GPR6 P46095 1/20 0.34

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
SCHEMBL25176438 0.88 PTK6 (0.47) PTK6TTKMAPKAPK5
SCHEMBL24977795 0.85 TTK (0.37) PTK6TTKMAPKAPK5
SCHEMBL24105244 0.81 TTK (0.42) PTK6TTKMAPKAPK5
SCHEMBL30167898 0.81 TTK (0.42) PTK6TTKMAPKAPK5
SCHEMBL22124594 0.79 PTK6 (0.48) PTK6TTKMAPKAPK5
SCHEMBL22124129 0.79 PTK6 (0.47) PTK6TTKMAPKAPK5
SCHEMBL22124200 0.79 PTK6 (0.47) PTK6TTKMAPKAPK5
SCHEMBL30171998 0.79 PTK6 (0.47) PTK6TTKMAPKAPK5
SCHEMBL22123950 0.78 PTK6 (0.49) PTK6TTKMAPKAPK5
SCHEMBL22142737 0.78 PTK6 (0.50) PTK6TTKMAPKAPK5

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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