SCHEMBL30892297

SCHEMBL30892297

CCOC(=O)c1cnc(NC2CC2)nc1N[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.49
JAK1 P23458 4/20 0.49
NR2F2 P24468 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
S1PR2 O95136 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 1/20 0.48
PPP1CA P62136 1/20 0.48
KMT2A Q03164 1/20 0.48
MERTK Q12866 2/20 0.46
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46

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
SCHEMBL29218489 1.00 JAK3 (0.49) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL29218488 1.00 JAK3 (0.49) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL29218501 0.92 JAK3 (0.49) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL30892302 0.92 JAK3 (0.49) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL29218503 0.92 JAK3 (0.49) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL30892296 0.91 JAK3 (0.48) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL29218449 0.91 MERTK (0.53) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL30892304 0.91 MERTK (0.53) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL30892293 0.91 MERTK (0.53) JAK3JAK1NR2F2NPSR1KDM4E
SCHEMBL29218441 0.91 MERTK (0.53) JAK3JAK1NR2F2NPSR1KDM4E

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-117886798-A Substituted benzimidazoles and use thereof 河南中医药大学 2024-04-16 CN disclosed