SCHEMBL5689258

SCHEMBL5689258

O=C(Nc1ccc(F)cc1)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
HRH3 Q9Y5N1 1/20 0.49
EPHX2 P34913 1/20 0.48
INSR P06213 1/20 0.47
AXL P30530 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
MET P08581 8/20 0.47
ALDH1A1 P00352 1/20 0.46
CHRNA7 P36544 1/20 0.45
KCNH2 Q12809 1/20 0.45
TNK2 Q07912 1/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL4488804 0.91 KDR (0.52) KDRHRH3EPHX2INSRAXL
SCHEMBL5686300 0.89 KDR (0.50) KDRHRH3INSRAXLHTR2A
SCHEMBL5686306 0.89 KDR (0.51) KDRHRH3INSRAXLHTR2A
SCHEMBL5686060 0.87 KDR (0.54) KDRINSRAXLMETTNK2
SCHEMBL4500256 0.87 KDR (0.50) KDRINSRAXLMETALDH1A1
SCHEMBL4496395 0.87 TNK2 (0.56) KDRINSRAXLMETTNK2
SCHEMBL4495092 0.87 AXL (0.51) KDRHRH3INSRAXLMET
SCHEMBL4494805 0.86 AXL (0.52) KDRHRH3INSRAXLMET
SCHEMBL4503003 0.83 MET (0.45) KDRMETLCKSRCMAPK14
SCHEMBL4503371 0.82 AXL (0.49) KDRINSRAXLMETALDH1A1

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