SCHEMBL5686306

SCHEMBL5686306

O=C(Nc1ccccc1F)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
AXL P30530 2/20 0.47
INSR P06213 1/20 0.47
TNK2 Q07912 1/20 0.47
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
HDAC1 Q13547 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
MAPK14 Q16539 1/20 0.45
MET P08581 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 1/20 0.44
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4481044 0.92 EGFR (0.47) KDRHTR2AHTR2CBRD4JAK1
SCHEMBL5689258 0.89 KDR (0.54) KDRHTR2AHTR2CAXLINSR
SCHEMBL4488804 0.87 KDR (0.52) KDRHTR2AHTR2CAXLINSR
SCHEMBL5686060 0.86 KDR (0.54) KDRAXLINSRTNK2LCK
SCHEMBL4496395 0.86 TNK2 (0.56) KDRAXLINSRTNK2BRD4
SCHEMBL5686300 0.85 KDR (0.50) KDRHTR2AHTR2CAXLINSR
SCHEMBL4500256 0.85 KDR (0.50) KDRAXLINSRTNK2LCK
SCHEMBL4495092 0.85 AXL (0.51) KDRAXLINSRTNK2HRH3
SCHEMBL4494805 0.84 AXL (0.52) KDRAXLINSRTNK2HRH3
SCHEMBL4492687 0.83 KDR (0.45) KDRAXLINSRTNK2LCK

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