SCHEMBL2934693

SCHEMBL2934693

CN(C)CC(=O)N1CCC(C2=C(C(N)=O)C=C(OC(=O)C(F)(F)F)C(C3=CCC(C)(C)CC3)N2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL5233949 0.77 TACR1 (0.30)
SCHEMBL3082264 0.70 HSP90AA1 (0.33) HSP90AA1HSP90AB1
Trifluoroacetic Acid SCHEMBL3172735 0.65 KIT (0.40) HSP90AA1HSP90AB1
Trifluoroacetic Acid SCHEMBL3172744 0.64 KIT (0.41)
Trifluoroacetic Acid SCHEMBL3082267 0.63 CSF1R (0.36)
Trifluoroacetic Acid SCHEMBL2934694 0.62 TACR1 (0.31) HSP90AA1HSP90AB1
SCHEMBL3172739 0.61 CSF1R (0.49)
SCHEMBL4819107 0.58
SCHEMBL25840967 0.57 KDM4E (0.40) HSP90AA1HSP90AB1
SCHEMBL3965446 0.54 GPR119 (0.44) HSP90AA1HSP90AB1

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
EP-2222298-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER Janssen Pharmaceutica N.V. (BE) 2010-09-01 EP disclosed
WO-2009058801-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed