SCHEMBL26953146

SCHEMBL26953146

Cc1ccccc1-c1c[nH]c2nccc(-c3ccc(CN)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.52
SGK1 O00141 1/20 0.47
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
JAK3 P52333 1/20 0.42
BRAF P15056 1/20 0.41
TNNI3K Q59H18 1/20 0.41
JAK2 O60674 4/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
AKT2 P31751 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL31735009 1.00 LRRK2 (0.52) LRRK2SGK1STK4STK3JAK3
SCHEMBL31735012 0.87 SGK1 (0.57) LRRK2SGK1STK4STK3JAK3
SCHEMBL26953278 0.87 SGK1 (0.57) LRRK2SGK1STK4STK3JAK3
SCHEMBL31734920 0.86 SGK1 (0.46) LRRK2SGK1STK4STK3JAK3
SCHEMBL26953246 0.86 SGK1 (0.46) LRRK2SGK1STK4STK3JAK3
SCHEMBL26953218 0.86 JAK3 (0.55) LRRK2SGK1STK4STK3JAK3
SCHEMBL31735066 0.86 JAK3 (0.55) LRRK2SGK1STK4STK3JAK3
SCHEMBL26953304 0.85 LRRK2 (0.49) LRRK2SGK1STK3BRAFTNNI3K
SCHEMBL31735005 0.83 LRRK2 (0.59) LRRK2SGK1STK4STK3JAK3
SCHEMBL26953170 0.83 LRRK2 (0.59) LRRK2SGK1STK4STK3JAK3

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-2023239727-A1 LATS INHIBITORS AND USES THEREOF THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-14 WO disclosed