SCHEMBL20649188

SCHEMBL20649188

C[C@](N)(CO)C(=O)Nc1ccc(C(=O)Nc2ccn(CC#CCN3CCC(N)CC3)c(=O)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.37
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TNIK Q9UKE5 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33
SUV39H1 O43463 1/20 0.31
PRMT1 Q99873 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
HTR1F P30939 1/20 0.31
ACKR3 P25106 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
LMNA P02545 1/20 0.31
FLT3 P36888 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
SCHEMBL20648898 1.00 MAP3K5 (0.37) MAP3K5ABL1RIN1TNIKL3MBTL1
SCHEMBL20648909 0.91 TRPV4 (0.38) MAP3K5ABL1RIN1TNIKPOLB
SCHEMBL20649283 0.91 TRPV4 (0.38) MAP3K5ABL1RIN1TNIKPOLB
SCHEMBL20648904 0.89 MAP3K5 (0.37) MAP3K5ABL1RIN1TNIKL3MBTL1
SCHEMBL20648844 0.87 KDM1A (0.34) MAP3K5ABL1RIN1L3MBTL1POLB
SCHEMBL20648884 0.85 MAP3K5 (0.37) MAP3K5ABL1RIN1POLBLMNA
SCHEMBL20649248 0.82 QPCT (0.37) MAP3K5ABL1RIN1POLBHTR1F
SCHEMBL20648913 0.82 QPCT (0.37) MAP3K5ABL1RIN1POLBHTR1F
SCHEMBL20649215 0.81 MAP3K5 (0.46) MAP3K5ABL1RIN1POLB
SCHEMBL20648776 0.81 MAP3K5 (0.39) MAP3K5ABL1RIN1POLBLMNA

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