SCHEMBL625131

SCHEMBL625131

CC(C)(C)OC(=O)NC1CCN(c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
RIPK1 Q13546 1/20 0.40
KCNH2 Q12809 7/20 0.39
SYK P43405 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
FLT3 P36888 2/20 0.38
KIT P10721 1/20 0.38
PIM1 P11309 1/20 0.38
CDK7 P50613 1/20 0.38
PIM3 Q86V86 1/20 0.38
HASPIN Q8TF76 1/20 0.38
PIM2 Q9P1W9 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
SCHEMBL624990 0.95 PIK3CA (0.47) PIK3CARIPK1KCNH2SYKITGB2
SCHEMBL625187 0.88 PIK3CA (0.47) PIK3CACKS1BSKP1SKP2KCNH2
SCHEMBL625132 0.87 CKS1B (0.42) PIK3CACKS1BSKP1SKP2SYK
SCHEMBL626891 0.86 PIK3CA (0.49) PIK3CAHASPIN
SCHEMBL626893 0.86 PIK3CA (0.49) PIK3CAHASPIN
SCHEMBL625746 0.84 PIK3CA (0.54) PIK3CAKCNH2FLT3KITPIM1
SCHEMBL625421 0.84 PIK3CA (0.52) PIK3CARIPK1KCNH2FLT3KIT
SCHEMBL624967 0.83 PIK3CA (0.55) PIK3CAKCNH2FLT3KITPIM1
SCHEMBL624991 0.83 SYK (0.45) PIK3CACKS1BSKP1SKP2SYK
SCHEMBL625620 0.82 PIK3CA (0.56) PIK3CAKCNH2FLT3KITPIM1

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