SCHEMBL9978654

SCHEMBL9978654

CC(C)[N+]1(OS(C)(=O)=O)CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 17/20 0.55
FLT3 P36888 17/20 0.55
PDGFRB P09619 4/20 0.53
KIT P10721 4/20 0.53
PDGFRA P16234 4/20 0.53
RET P07949 3/20 0.41
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41
AURKB Q96GD4 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL9978911 0.96 CSF1R (0.58) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388590 0.91 FLT3 (0.66) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388552 0.91 FLT3 (0.66) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388768 0.87 FLT3 (0.54) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL9978680 0.87 FLT3 (0.58) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388628 0.87 FLT3 (0.70) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL9980460 0.83 CSF1R (0.60) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL9978908 0.83 FLT3 (0.77) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL9978694 0.82 FLT3 (0.59) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL9978652 0.82 FLT3 (0.70) CSF1RFLT3PDGFRBKITPDGFRA

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
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO claimed