SCHEMBL30040344

SCHEMBL30040344

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.48

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
SCHEMBL20987207 1.00 LRRK2 (0.48) LRRK2
SCHEMBL30039324 0.83 LRRK2 (0.41) LRRK2
SCHEMBL17059353 0.81 PIN1 (0.40) LRRK2
SCHEMBL30040910 0.79 KMT2A (0.41) LRRK2
SCHEMBL30040637 0.79 KMT2A (0.42) LRRK2
SCHEMBL1356867 0.78 LRRK2 (0.63) LRRK2
SCHEMBL17670204 0.78 LRRK2 (0.40) LRRK2
SCHEMBL17059258 0.77 EGFR (0.57) LRRK2
SCHEMBL28378818 0.77 EGFR (0.47)
SCHEMBL26324590 0.77 LRRK2 (0.39) LRRK2

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
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN disclosed