SCHEMBL13634646

SCHEMBL13634646

CCCN(C)Cc1ccc(NC(=O)c2coc(N3CCC(O)CC3)n2)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.43
S1PR1 P21453 4/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
AXL P30530 1/20 0.35
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL13638947 0.93 IRAK4 (0.42) IRAK4NTRK1FLT3NAPEPLDP2RX7
SCHEMBL13270595 0.85 IRAK4 (0.44) IRAK4NTRK1NAPEPLDP2RX7MCHR1
SCHEMBL13634551 0.84 IRAK4 (0.47) IRAK4NAPEPLDP2RX7MCHR1
SCHEMBL13634550 0.78 IRAK4 (0.46) IRAK4P2RX7MCHR1
SCHEMBL13270421 0.78 IRAK4 (0.45) IRAK4FLT3TYRO3MERTKGAS6
SCHEMBL13634739 0.74 IRAK4 (0.48) IRAK4NAPEPLD
SCHEMBL13270469 0.73 IRAK4 (0.47) IRAK4
SCHEMBL13634629 0.73 GRM2 (0.40) IRAK4S1PR1FLT3TYRO3MERTK
SCHEMBL13634779 0.72 MCHR1 (0.43) IRAK4MCHR1
SCHEMBL13638815 0.72 MCHR1 (0.43) IRAK4MCHR1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed