SCHEMBL23934984

SCHEMBL23934984

CS1(N=O)C=C1Cc1nc2cnc3ccc(C#N)cc3c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PIK3CA P42336 2/20 0.33
GSK3B P49841 2/20 0.33
KDR P35968 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
PIK3CD O00329 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 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
SCHEMBL23935156 0.85 GABRA1 (0.35) PIM1FLT3
SCHEMBL23935193 0.85 GABRA1 (0.35) LRRK2
SCHEMBL23935066 0.83 GABRA1 (0.39) GRIN1GRIN2BPIK3CBPIK3CDCDK9
SCHEMBL23934985 0.77 LRRK2 (0.48) LRRK2
SCHEMBL18606456 0.77 LRRK2 (0.52) LRRK2GRIN1GRIN2BPIK3CAGSK3B
SCHEMBL18659043 0.75 GRIN1 (0.40) LRRK2GRIN1GRIN2BPIK3CAGSK3B
SCHEMBL18606528 0.75 LRRK2 (0.36) LRRK2GRIN1GRIN2BIRAK4CDK8
SCHEMBL18658646 0.74 F2 (0.43) LRRK2GRIN1GRIN2BCDK8
SCHEMBL18659040 0.73 LRRK2 (0.37) LRRK2GRIN1GRIN2BPIK3CAGSK3B
SCHEMBL18659045 0.73 LRRK2 (0.38) LRRK2GRIN1GRIN2BPIK3CAGSK3B

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-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed