SCHEMBL21850239

SCHEMBL21850239

Cc1c(N)cnn1[C@H]1CCN(C2CCC2)CC1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
ALOX15 P16050 1/20 0.33
DYRK1A Q13627 2/20 0.33
CCND1 P24385 2/20 0.30
CDK6 Q00534 2/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL16985343 0.88 LRRK2 (0.46) LRRK2DYRK1A
SCHEMBL21821365 0.88 LRRK2 (0.46) LRRK2DYRK1A
SCHEMBL16975464 0.81 ALOX15 (0.42) LRRK2ALOX15
SCHEMBL21939039 0.76 JAK3 (0.36) LRRK2DYRK1A
SCHEMBL21938979 0.74 LRRK2 (0.42) LRRK2DYRK1A
SCHEMBL16975476 0.74 ALOX15 (0.36) ALOX15
SCHEMBL21958372 0.72 LRRK2 (0.46) LRRK2DYRK1A
SCHEMBL21859053 0.72 LRRK2 (0.46) LRRK2DYRK1A
SCHEMBL16985407 0.72 LRRK2 (0.53) LRRK2DYRK1A
SCHEMBL16985433 0.72 LRRK2 (0.53) LRRK2DYRK1A

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-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed