SCHEMBL30183513

SCHEMBL30183513

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCOCCCl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.36
▸ TTK P33981 7/20 0.33
▸ SYK P43405 3/20 0.33
▸ AXL P30530 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ GPR52 Q9Y2T5 1/20 0.31
▸ IGF1R P08069 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
SCHEMBL24112091 0.94 PTK6 (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30183531 0.93 PTK6 (0.35) PTK6TTKMAPKAPK5IDO1
SCHEMBL22123191 0.93 PTK6 (0.35) PTK6TTKMAPKAPK5IDO1
SCHEMBL22123733 0.93 TTK (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30385354 0.93 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123578 0.93 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL25452733 0.93 PTK6 (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22124597 0.92 SYK (0.37) PTK6TTKSYKAXLMAPKAPK5
Hydrochloric Acid SCHEMBL25173409 0.92 SYK (0.35) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL25450706 0.92 PTK6 (0.35) PTK6TTKSYKAXLMAPKAPK5

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