SCHEMBL625187

SCHEMBL625187

CC(C)(C)OC(=O)NCC1CCN(c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.47
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
KCNH2 Q12809 6/20 0.38
FLT3 P36888 2/20 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
SCHEMBL625131 0.88 PIK3CA (0.49) PIK3CACKS1BSKP1SKP2KCNH2
SCHEMBL625188 0.88 CKS1B (0.44) PIK3CACKS1BSKP1SKP2SIRT2
SCHEMBL624990 0.85 PIK3CA (0.47) PIK3CAKCNH2
SCHEMBL626168 0.84 PIK3CA (0.53) PIK3CASIRT2SIRT1SIRT3KCNH2
SCHEMBL624411 0.82 PIK3CA (0.54) PIK3CAKCNH2FLT3
SCHEMBL625421 0.82 PIK3CA (0.52) PIK3CAKCNH2FLT3
SCHEMBL625746 0.82 PIK3CA (0.54) PIK3CAKCNH2FLT3
SCHEMBL625034 0.81 PIM1 (0.54) CKS1BSKP1SKP2FGFR3KDR
SCHEMBL625620 0.80 PIK3CA (0.56) PIK3CAKCNH2FLT3
SCHEMBL626463 0.80 PIK3CA (0.53) PIK3CAKCNH2

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed