SCHEMBL2909200

SCHEMBL2909200

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OC(=O)NC(C)(C)c5ccccc5)oc34)c(NC(=O)c3ccc[nH]3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.48
AURKA O14965 3/20 0.48
ALK Q9UM73 11/20 0.41
INSR P06213 10/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KIT P10721 4/20 0.40
FLT3 P36888 3/20 0.40
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
ROS1 P08922 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38
WEE1 P30291 1/20 0.38
FRK P42685 1/20 0.38
MAPK8 P45983 1/20 0.38
MST1R Q04912 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL650431 0.89 AURKA (0.54) IGF1RAURKAALKINSRABL1
SCHEMBL2907317 0.88 AURKA (0.48) IGF1RAURKAALKINSRABL1
SCHEMBL2914823 0.87 AURKA (0.35) AURKA
SCHEMBL2910310 0.82 IGF1R (0.55) IGF1RAURKAALKINSRABL1
SCHEMBL1779562 0.78 AURKA (0.57) IGF1RAURKAALKINSRABL1
SCHEMBL2912187 0.78 RXFP1 (0.41) AURKA
SCHEMBL2912226 0.78 PTGES (0.35) IGF1R
SCHEMBL652262 0.77 AURKA (0.54) IGF1RAURKAALKINSRABL1
SCHEMBL15362116 0.76 IGF1R (0.49) IGF1RAURKAALKINSRABL1
SCHEMBL653338 0.76 AURKA (0.65) AURKAABL1BCRKITFLT3

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
EP-2051981-B1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-08-25 EP claimed