SCHEMBL26953274

SCHEMBL26953274

NCc1ccc(-c2ccnc3[nH]cc(Cl)c23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
STK3 Q13188 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
ROS1 P08922 1/20 0.44

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
SCHEMBL31734964 1.00 LRRK2 (0.44) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL31734905 0.89 LRRK2 (0.53) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953300 0.89 LRRK2 (0.53) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL31734967 0.87 LRRK2 (0.46) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953174 0.87 LRRK2 (0.46) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953172 0.86 LRRK2 (0.41) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL31735010 0.82 LRRK2 (0.50) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953438 0.82 LRRK2 (0.50) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953080 0.82 JAK3 (0.43) LRRK2CDK2CDK9CDK5DYRK1B
SCHEMBL26953498 0.79 NUDT1 (0.58) LRRK2CDK9CDK5DYRK1BDAPK3

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