SCHEMBL19825527

SCHEMBL19825527

N#Cc1nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc2c1NC1COC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.45
▸ PDGFRA P16234 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ SYK P43405 1/20 0.34

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
SCHEMBL27975112 0.91 LRRK2 (0.47) LRRK2PDGFRA
SCHEMBL27975393 0.89 LRRK2 (0.46) LRRK2PDGFRAABL1EGFRSRC
SCHEMBL28814172 0.82 LRRK2 (0.53) LRRK2PDGFRA
SCHEMBL14060259 0.81 LRRK2 (0.68) LRRK2PDGFRA
SCHEMBL27975100 0.80 LRRK2 (0.50) LRRK2
SCHEMBL28830370 0.79 LRRK2 (0.47) LRRK2
SCHEMBL27975446 0.79 LRRK2 (0.67) LRRK2PDGFRA
SCHEMBL28830335 0.78 LRRK2 (0.70) LRRK2PDGFRA
SCHEMBL27975228 0.78 LRRK2 (0.47) LRRK2
SCHEMBL28813534 0.77 LRRK2 (0.70) LRRK2PDGFRA

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
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 — — US disclosed
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