SCHEMBL30002193

SCHEMBL30002193

COc1cc(C(=O)NOCC(C)C)c(F)cc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.57
▸ MAP4K1 Q92918 3/20 0.56
▸ MAPK3 P27361 2/20 0.49
▸ PTK2 Q05397 3/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ EML4 Q9HC35 1/20 0.48
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL24752230 1.00 LRRK2 (0.57) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL24752236 0.94 LRRK2 (0.56) LRRK2MAP4K1MAPK3PTK2
SCHEMBL24752702 0.93 LRRK2 (0.55) LRRK2MAP4K1MAPK3PTK2
SCHEMBL24752266 0.92 LRRK2 (0.59) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL30002260 0.92 LRRK2 (0.59) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL24752708 0.91 LRRK2 (0.55) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL24752232 0.91 LRRK2 (0.55) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL29137444 0.91 LRRK2 (0.56) LRRK2MAP4K1MAPK3PTK2EGFR
SCHEMBL24752243 0.90 LRRK2 (0.62) LRRK2MAP4K1MAPK3PTK2ALK
SCHEMBL30001781 0.90 LRRK2 (0.62) LRRK2MAP4K1MAPK3PTK2ALK

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
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 — — WO disclosed
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