SCHEMBL2907317

SCHEMBL2907317

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
ALK Q9UM73 12/20 0.41
INSR P06213 11/20 0.41
IGF1R P08069 6/20 0.41
KIT P10721 4/20 0.40
FLT3 P36888 3/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
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
SCHEMBL652262 0.89 AURKA (0.54) AURKAALKINSRIGF1RKIT
SCHEMBL2913928 0.88 AURKA (0.37) AURKAKIT
SCHEMBL2909200 0.88 IGF1R (0.48) AURKAALKINSRIGF1RKIT
SCHEMBL2910788 0.82 INSR (0.48) AURKAALKINSRIGF1RKIT
SCHEMBL2908971 0.78 HTT (0.36) AURKAKIT
SCHEMBL2913924 0.77 KDR (0.36) AURKAKIT
SCHEMBL650431 0.77 AURKA (0.54) AURKAALKINSRIGF1RKIT
SCHEMBL2912187 0.77 RXFP1 (0.41) AURKA
SCHEMBL654837 0.76 AURKA (0.42) AURKAKITABL1BCR
SCHEMBL2911949 0.76 EGLN1 (0.38) AURKAKITNTRK1

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