SCHEMBL3038265

SCHEMBL3038265

Cc1cc(OCCCCCN2C(=O)c3ccccc3C2=O)ccc1Nc1nc(NC2CCC(O)CC2)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.42
BACE1 P56817 7/20 0.41
PRKDC P78527 3/20 0.39
CSF1R P07333 1/20 0.39
MERTK Q12866 2/20 0.39
AXL P30530 1/20 0.39
DCLK1 O15075 1/20 0.38
LRRK2 Q5S007 1/20 0.38
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
GAS6 Q14393 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL3038261 1.00 TTK (0.42) TTKBACE1PRKDCCSF1RMERTK
SCHEMBL3036644 0.98 BACE1 (0.43) TTKBACE1PRKDCCSF1RMERTK
SCHEMBL3036637 0.98 BACE1 (0.43) TTKBACE1PRKDCCSF1RMERTK
SCHEMBL3697573 0.91 BACE1 (0.51) TTKBACE1PRKDCMERTKAXL
SCHEMBL4766002 0.85 TTK (0.47) TTKPRKDCCSF1RMERTKAXL
SCHEMBL2954761 0.84 TTK (0.44) TTKPRKDCCSF1RMERTKAXL
SCHEMBL2950053 0.83 TTK (0.45) TTKPRKDCCSF1RMERTKAXL
SCHEMBL2950051 0.83 TTK (0.45) TTKPRKDCCSF1RMERTKAXL
SCHEMBL2950176 0.81 TTK (0.46) TTKPRKDCCSF1RMERTKAXL
SCHEMBL2953247 0.77 TTK (0.47) TTKPRKDCCSF1RMERTKAXL

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed