SCHEMBL2950053

SCHEMBL2950053

Cc1cc(OCCc2ccccc2)ccc1Nc1nc(NC2CCC(O)CC2)c2nc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.45
MERTK Q12866 7/20 0.41
AXL P30530 2/20 0.41
TYRO3 Q06418 6/20 0.39
PRKDC P78527 2/20 0.38
FLT3 P36888 4/20 0.37
GAS6 Q14393 4/20 0.37
CSF1R P07333 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
LCK P06239 1/20 0.36
ITK Q08881 1/20 0.36
AURKB Q96GD4 1/20 0.36
PTK2 Q05397 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL2950051 1.00 TTK (0.45) TTKMERTKAXLTYRO3PRKDC
SCHEMBL2954761 0.96 TTK (0.44) TTKMERTKAXLTYRO3PRKDC
SCHEMBL2954758 0.96 TTK (0.44) TTKMERTKAXLTYRO3PRKDC
SCHEMBL2950176 0.87 TTK (0.46) TTKMERTKAXLTYRO3PRKDC
SCHEMBL4766030 0.87 TTK (0.46) TTKMERTKAXLTYRO3PRKDC
SCHEMBL4766002 0.85 TTK (0.47) TTKMERTKAXLTYRO3PRKDC
SCHEMBL3036644 0.84 BACE1 (0.43) TTKMERTKAXLTYRO3PRKDC
SCHEMBL3036637 0.84 BACE1 (0.43) TTKMERTKAXLTYRO3PRKDC
SCHEMBL3038261 0.83 TTK (0.42) TTKMERTKAXLTYRO3PRKDC
SCHEMBL3038265 0.83 TTK (0.42) TTKMERTKAXLTYRO3PRKDC

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