SCHEMBL22650356

SCHEMBL22650356

CC(C)(C)c1cnn2ccc(-c3nc(Cl)ncc3F)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
RPS6KA5 O75582 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 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
SCHEMBL22650436 0.81 RPS6KA5 (0.34) SCN5ARPS6KA5SMN1; SMN2
SCHEMBL22650740 0.81 RPS6KA5 (0.32) RPS6KA5SMN1; SMN2JAK2
SCHEMBL22650369 0.78 SCN5A (0.38) SCN5ASMN1; SMN2JAK2
SCHEMBL22650908 0.77 CAMKK1 (0.38) SCN5ARPS6KA5
SCHEMBL22650437 0.74 SCN5A (0.42) SCN5ARPS6KA5SMN1; SMN2
SCHEMBL22650698 0.71 MAPK14 (0.35)
SCHEMBL20356475 0.70 RPS6KA5 (0.35) RPS6KA5SMN1; SMN2
SCHEMBL19966561 0.68 KMO (0.38) SMN1; SMN2
SCHEMBL29520298 0.68 NPC1 (0.39) RPS6KA5SMN1; SMN2
SCHEMBL31489405 0.68 PDE10A (0.34)

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