SCHEMBL22650388

SCHEMBL22650388

COc1cc(-c2nc(Cl)ncc2F)cc2c(C(C)C)cnn12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.32
GSK3B P49841 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
PIK3CG P48736 1/20 0.32
PDE4B Q07343 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL22650387 0.85 SMN1; SMN2 (0.31)
SCHEMBL22650740 0.76 RPS6KA5 (0.32) MAPK8GSK3BCAMKK2PIK3CG
SCHEMBL19966537 0.71 CDK4 (0.35) MAPK8GSK3BCAMKK2PIK3CG
SCHEMBL24391815 0.70 PDE4B (0.32) PDE4B
SCHEMBL24970292 0.67 ALDH1A1 (0.45) PIK3CGALDH1A1GAA
SCHEMBL24619604 0.66 CDK4 (0.31)
SCHEMBL24632941 0.66 CDK4 (0.43)
SCHEMBL19966561 0.66 KMO (0.38) PIK3CG
SCHEMBL19966494 0.66 CDK4 (0.47) GSK3B
SCHEMBL29684460 0.66 CDK4 (0.31)

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed