SCHEMBL22249259

SCHEMBL22249259

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(Cc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3)C[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
ROCK2 O75116 3/20 0.34
NAMPT P43490 3/20 0.33
ATM Q13315 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TEAD1 P28347 1/20 0.32
ENPP2 Q13822 2/20 0.32
FAAH O00519 5/20 0.32
MCHR1 Q99705 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32

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
SCHEMBL22236164 1.00 JAK1 (0.37) JAK1HRH3ROCK2NAMPTATM
SCHEMBL30276540 0.93 JAK1 (0.38) JAK1HRH3ROCK2NAMPTPARP1
SCHEMBL30276597 0.90 ATM (0.32) JAK1HRH3NAMPTATMFAAH
SCHEMBL22235950 0.89 JAK1 (0.37) JAK1HRH3ROCK2TEAD1ENPP2
SCHEMBL30401127 0.89 PARP1 (0.42) JAK1NAMPTATMPARP1PARP2
SCHEMBL22249207 0.89 JAK1 (0.36) JAK1HRH3ROCK2NAMPTATM
SCHEMBL30276467 0.89 JAK1 (0.36) JAK1HRH3ROCK2NAMPTATM
SCHEMBL30276616 0.88 JAK1 (0.36) JAK1HRH3ROCK2ENPP2FAAH
SCHEMBL22236184 0.88 POLB (0.36) ROCK2FAAH
SCHEMBL30276416 0.87 JAK1 (0.38) JAK1HRH3ROCK2NAMPTATM

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed