SCHEMBL586443

SCHEMBL586443

C[Si](C)(C)CCOCn1nc(I)c2ccc(/C=C3\C(=O)Nc4ccc(F)cc43)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.42
FLT3 P36888 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
RPS6KA3 P51812 1/20 0.38
MDM2 Q00987 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL586444 1.00 KDR (0.42) KDRFLT3MEN1KMT2ACCNE1
SCHEMBL586598 1.00 KDR (0.42) KDRFLT3MEN1KMT2ACCNE1
SCHEMBL585967 0.89 PSEN1 (0.47) KDRFLT3MEN1KMT2AAPP
SCHEMBL585966 0.89 PSEN1 (0.47) KDRFLT3MEN1KMT2AAPP
SCHEMBL3708734 0.77 PSEN1 (0.44) MEN1KMT2AAPPMAPT
SCHEMBL3708737 0.77 PSEN1 (0.44) MEN1KMT2AAPPMAPT
SCHEMBL3711358 0.76 PLK4 (0.41) MEN1KMT2ARPS6KA3
SCHEMBL3711355 0.76 PLK4 (0.41) MEN1KMT2ARPS6KA3
SCHEMBL586069 0.76 NPC1 (0.35)
SCHEMBL6522705 0.75 PSEN1 (0.42) KDRFLT3MEN1KMT2AAPP

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-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed