SCHEMBL23729044

SCHEMBL23729044

CCc1nn(-c2nc(Nc3cc(N=O)c(F)cc3OC)ncc2C(F)(F)F)c2ccc(C#N)cc12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.42
PTK2 Q05397 3/20 0.36

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
SCHEMBL17683276 0.88 LRRK2 (0.41) LRRK2PTK2
SCHEMBL17683275 0.80 EGFR (0.41) LRRK2
SCHEMBL19254675 0.79 EGFR (0.44) LRRK2
SCHEMBL19254885 0.78 LRRK2 (0.42) LRRK2PTK2
SCHEMBL19532546 0.78 LRRK2 (0.36) LRRK2
SCHEMBL17683167 0.77 EGFR (0.58)
SCHEMBL19254673 0.74 GRM2 (0.36) LRRK2PTK2
SCHEMBL17683380 0.72 LRRK2 (0.41) LRRK2
SCHEMBL17682938 0.72 EGFR (0.41) LRRK2
SCHEMBL23729091 0.72 EGFR (0.46)

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-3205650-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 EP disclosed