SCHEMBL10123290

SCHEMBL10123290

Cc1ccc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(NC3CCNCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.51
PLK4 O00444 5/20 0.51
AURKA O14965 5/20 0.49
IRAK4 Q9NWZ3 4/20 0.49
AURKB Q96GD4 3/20 0.49
NTRK1 P04629 3/20 0.49
ABL1 P00519 2/20 0.49
LCK P06239 2/20 0.49
CSF1R P07333 2/20 0.49
RET P07949 2/20 0.49
KIT P10721 2/20 0.49
FGFR1 P11362 2/20 0.49
SRC P12931 2/20 0.49
PDGFRA P16234 2/20 0.49
TYK2 P29597 2/20 0.49
KDR P35968 2/20 0.49
FLT3 P36888 2/20 0.49
PTK2 Q05397 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
SYK P43405 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
SCHEMBL10122980 0.90 PLK4 (0.48) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122973 0.83 JAK3 (0.47) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122936 0.82 AURKA (0.60) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122997 0.82 PLK4 (0.46) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122953 0.82 AURKA (0.57) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122914 0.81 AURKA (0.69) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122974 0.76 AURKA (0.66) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10123009 0.75 PLK4 (0.42) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122992 0.75 JAK3 (0.46) PAK4PLK4AURKAIRAK4AURKB
SCHEMBL10122983 0.75 FLT3 (0.47) PAK4PLK4AURKAIRAK4AURKB

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
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed