SCHEMBL20649283

SCHEMBL20649283

CN(C)C1CCN(CC#CCn2ccc(NC(=O)c3ccc(NC(=O)[C@@](C)(N)CO)cc3)nc2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
MAP3K5 Q99683 3/20 0.36
TNIK Q9UKE5 1/20 0.35
MCHR1 Q99705 4/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
FRK P42685 1/20 0.32
BLK P51451 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
SCHEMBL20648909 1.00 TRPV4 (0.38) TRPV4MAP3K5TNIKMCHR1ABL1
SCHEMBL20649188 0.91 MAP3K5 (0.37) MAP3K5TNIKABL1RIN1POLB
SCHEMBL20648898 0.91 MAP3K5 (0.37) MAP3K5TNIKABL1RIN1POLB
SCHEMBL20649017 0.89 TRPV4 (0.38) TRPV4MAP3K5TNIKMCHR1ABL1
SCHEMBL20648905 0.89 TRPV4 (0.38) TRPV4MAP3K5TNIKMCHR1ABL1
SCHEMBL20648877 0.82 MAPT (0.34) MAP3K5MCHR1ABL1RIN1POLB
SCHEMBL20648884 0.81 MAP3K5 (0.37) MAP3K5ABL1RIN1POLB
SCHEMBL20648904 0.80 MAP3K5 (0.37) MAP3K5TNIKABL1RIN1POLB
SCHEMBL20649215 0.79 MAP3K5 (0.46) MAP3K5ABL1RIN1POLB
SCHEMBL20648776 0.79 MAP3K5 (0.39) MAP3K5ABL1RIN1POLB

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-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed