SCHEMBL5689342

SCHEMBL5689342

CCCNC(=O)CCc1ccc(Oc2nc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.46
KDR P35968 6/20 0.46
SRC P12931 5/20 0.46
MAPK14 Q16539 3/20 0.46
TNK2 Q07912 2/20 0.44
JAK3 P52333 2/20 0.44
BTK Q06187 2/20 0.44
SIK1 P57059 2/20 0.43
SIK2 Q9H0K1 2/20 0.43
SIK3 Q9Y2K2 2/20 0.43
CSF1R P07333 2/20 0.41
MET P08581 5/20 0.40
PDGFRB P09619 2/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
PDGFRA P16234 1/20 0.39
FLT4 P35916 1/20 0.39
ALK Q9UM73 1/20 0.39
AXL P30530 2/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4506418 0.96 LCK (0.48) LCKKDRSRCMAPK14TNK2
SCHEMBL5686153 0.95 TNK2 (0.46) LCKKDRSRCMAPK14TNK2
SCHEMBL4483801 0.93 LCK (0.49) LCKKDRSRCMAPK14TNK2
SCHEMBL4501597 0.91 LCK (0.46) LCKKDRSRCMAPK14TNK2
SCHEMBL5686501 0.91 LCK (0.43) LCKKDRSRCMAPK14TNK2
SCHEMBL4491816 0.91 LCK (0.47) LCKKDRSRCMAPK14TNK2
SCHEMBL4503495 0.91 KDR (0.48) LCKKDRSRCMAPK14TNK2
SCHEMBL4487916 0.91 LCK (0.49) LCKKDRSRCMAPK14TNK2
SCHEMBL4499147 0.90 LCK (0.47) LCKKDRSRCMAPK14TNK2
SCHEMBL4490891 0.90 LCK (0.49) LCKKDRSRCMAPK14TNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed