SCHEMBL30503530

SCHEMBL30503530

CC(C)c1ccc2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
NUDT1 P36639 1/20 0.41
BRD4 O60885 1/20 0.39
APP P05067 1/20 0.34
CDK8 P49336 2/20 0.33
KDM5A P29375 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL4569788 1.00 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL23970904 0.84 AXL (0.38) AXLNUDT1BRD4APPCDK8
SCHEMBL24248223 0.81 AXL (0.36) AXLNUDT1BRD4APPCDK8
SCHEMBL26525126 0.80
SCHEMBL29362564 0.79 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL20354682 0.79 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL20283841 0.79 AXL (0.37) AXLNUDT1BRD4APP
SCHEMBL18924352 0.78 TAS1R3 (0.37) AXLNUDT1BRD4APP
SCHEMBL24836072 0.78 BRD4 (0.30) BRD4
SCHEMBL21186513 0.78 BRD4 (0.30) BRD4

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed