SCHEMBL652262

SCHEMBL652262

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5)oc34)c(NC(=O)c3cccn3C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.54
INSR P06213 11/20 0.44
ALK Q9UM73 11/20 0.44
IGF1R P08069 8/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
AURKB Q96GD4 3/20 0.39
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL2907317 0.89 AURKA (0.48) AURKAINSRALKIGF1RABL1
SCHEMBL2910788 0.89 INSR (0.48) AURKAINSRALKIGF1RABL1
SCHEMBL654837 0.88 AURKA (0.42) AURKAABL1BCRKIT
SCHEMBL650431 0.88 AURKA (0.54) AURKAINSRALKIGF1RABL1
SCHEMBL4078547 0.87 AURKA (0.46) AURKAABL1BCR
SCHEMBL653338 0.85 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL4086497 0.84 AURKA (0.71) AURKAABL1BCRKITFLT3
SCHEMBL653322 0.77 ALK (0.54) AURKAINSRALKIGF1RABL1
SCHEMBL2909200 0.77 IGF1R (0.48) AURKAINSRALKIGF1RABL1
SCHEMBL652354 0.77 AURKA (0.41) AURKAABL1BCRKIT

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-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US claimed
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed