SCHEMBL4078557

SCHEMBL4078557

CCN(CC)C(=O)C1(c2cc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c3c(N)nn(C)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.55
KIT P10721 7/20 0.55
FLT3 P36888 7/20 0.55
LCK P06239 5/20 0.55
CSF1R P07333 4/20 0.55
LYN P07948 4/20 0.55
SRC P12931 4/20 0.55
FLT1 P17948 4/20 0.55
FLT4 P35916 4/20 0.55
BLK P51451 4/20 0.55
FYN P06241 3/20 0.55
ABL1 P00519 3/20 0.55
JAK3 P52333 3/20 0.49
AURKB Q96GD4 3/20 0.49
JAK2 O60674 2/20 0.49
MAP4K4 O95819 2/20 0.49
NTRK1 P04629 2/20 0.49
MET P08581 2/20 0.49
FGFR1 P11362 2/20 0.49
FER P16591 2/20 0.49

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
SCHEMBL2821063 0.95 KDR (0.63) KDRKITFLT3LCKCSF1R
SCHEMBL3740469 0.92 KDR (0.57) KDRKITFLT3LCKCSF1R
SCHEMBL3734825 0.91 KDR (0.60) KDRKITFLT3LCKCSF1R
SCHEMBL3729378 0.89 KDR (0.58) KDRKITFLT3LCKCSF1R
SCHEMBL3734776 0.88 KDR (0.55) KDRKITFLT3LCKCSF1R
SCHEMBL2816642 0.87 KDR (0.64) KDRKITFLT3LCKCSF1R
SCHEMBL3738838 0.86 KDR (0.54) KDRKITFLT3LCKCSF1R
SCHEMBL2817222 0.85 KDR (0.68) KDRKITFLT3LCKCSF1R
SCHEMBL3735533 0.85 KDR (0.62) KDRKITFLT3LCKCSF1R
SCHEMBL2817032 0.85 KDR (0.67) KDRKITFLT3LCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032572-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-11 EP claimed
WO-2007144202-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO claimed
EP-2032572-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-11 EP disclosed
WO-2007144202-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO disclosed