SCHEMBL30386489

SCHEMBL30386489

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(Br)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.47
▸ SYK P43405 5/20 0.45
▸ PTK6 Q13882 4/20 0.45
▸ TTK P33981 5/20 0.42
▸ AURKB Q96GD4 2/20 0.39
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MET P08581 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DHODH Q02127 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
SCHEMBL22123546 1.00 MAPKAPK5 (0.47) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL22124321 0.93 MAPKAPK5 (0.47) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL30384851 0.93 MAPKAPK5 (0.47) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL30385742 0.91 MAPKAPK5 (0.48) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL25170256 0.91 MAPKAPK5 (0.48) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL22123619 0.90 PTK6 (0.54) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL30193410 0.90 PTK6 (0.54) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL25170375 0.86 PTK6 (0.40) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL24112103 0.86 PTK6 (0.49) MAPKAPK5SYKPTK6TTKAURKB
SCHEMBL30349725 0.85 MAPKAPK5 (0.55) MAPKAPK5SYKPTK6TTKAURKB

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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