SCHEMBL6091275

SCHEMBL6091275

Nc1ccc(CCC2=NNC(=O)/C2=C/c2ccc[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.45
RET P07949 4/20 0.45
FLT3 P36888 3/20 0.45
ALK Q9UM73 2/20 0.45
KDR P35968 5/20 0.41
PDGFRB P09619 5/20 0.41
JAK3 P52333 2/20 0.41
NTRK1 P04629 2/20 0.41
FLT1 P17948 2/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL6091278 1.00 PDPK1 (0.45) PDPK1RETFLT3ALKKDR
SCHEMBL6090443 0.88 PDPK1 (0.45) PDPK1RETFLT3ALKKDR
SCHEMBL6089068 0.84 PDGFRB (0.49) PDPK1RETFLT3ALKKDR
SCHEMBL6087985 0.81 NTRK1 (0.45) PDPK1RETFLT3ALKKDR
SCHEMBL6087983 0.81 NTRK1 (0.45) PDPK1RETFLT3ALKKDR
SCHEMBL6088506 0.81 PDPK1 (0.46) PDPK1RETFLT3ALKKDR
SCHEMBL6088502 0.81 PDPK1 (0.46) PDPK1RETFLT3ALKKDR
SCHEMBL6090037 0.80 PDPK1 (0.39) PDPK1ALKKDRCHEK1
SCHEMBL6091001 0.80 GFER (0.32)
SCHEMBL6088598 0.80 GFER (0.32)

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed