SCHEMBL13575137

SCHEMBL13575137

CC(O)(Cc1ccc(CN2CCOCC2)c(Nc2nc(N)ncc2Cl)c1)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 10/20 0.39
EGFR P00533 4/20 0.38
AXL P30530 1/20 0.38
MAP4K4 O95819 1/20 0.38
LRRK2 Q5S007 2/20 0.37
AURKB Q96GD4 2/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TNK2 Q07912 1/20 0.36
NTRK3 Q16288 1/20 0.36
AURKA O14965 1/20 0.36
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
MOK Q9UQ07 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
SCHEMBL12743915 0.88 MAP3K14 (0.40) MAP3K14EGFRAXLMAP4K4LRRK2
SCHEMBL12743933 0.88 MAP3K14 (0.40) MAP3K14EGFRAXLMAP4K4LRRK2
SCHEMBL1613384 0.84 MAP3K14 (0.58) MAP3K14MAP4K4LRRK2AURKBJAK1
SCHEMBL1612870 0.84 MAP3K14 (0.58) MAP3K14MAP4K4LRRK2AURKBJAK1
SCHEMBL1612748 0.84 MAP3K14 (0.58) MAP3K14MAP4K4LRRK2AURKBJAK1
SCHEMBL1613343 0.76 CYP2A13 (0.42) EGFRAXLLRRK2AURKBAURKA
SCHEMBL13575138 0.75 MAP3K14 (0.51) MAP3K14MAP4K4LRRK2AURKBJAK1
SCHEMBL12743242 0.74 ALOX5AP (0.36) MAP3K14EGFRAXLLRRK2AURKB
SCHEMBL1613804 0.71 MAP3K14 (0.50) MAP3K14
SCHEMBL12743908 0.68 MAP3K14 (0.50) MAP3K14MAP4K4LRRK2INSRALK

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-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed