SCHEMBL626168

SCHEMBL626168

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.53
HASPIN Q8TF76 3/20 0.37
KCNH2 Q12809 7/20 0.37
FLT3 P36888 2/20 0.37
MAP3K12 Q12852 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
KIT P10721 1/20 0.37
PIM1 P11309 1/20 0.37
CDK7 P50613 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL625432 0.90 PIK3CA (0.50) PIK3CAHASPINKCNH2MAP3K12
SCHEMBL624967 0.87 PIK3CA (0.55) PIK3CAHASPINKCNH2FLT3MAP3K12
SCHEMBL626169 0.87 MAP3K12 (0.41) PIK3CAMAP3K12
SCHEMBL624411 0.85 PIK3CA (0.54) PIK3CAHASPINKCNH2FLT3KIT
SCHEMBL625732 0.84 PIK3CA (0.53) PIK3CAKCNH2MAP3K12
SCHEMBL627410 0.82 PIK3CA (0.57) PIK3CAHASPINKCNH2FLT3KIT
SCHEMBL626262 0.82 PIK3CA (0.54) PIK3CAHASPINKCNH2FLT3MAP3K12
SCHEMBL625620 0.81 PIK3CA (0.56) PIK3CAHASPINKCNH2FLT3KIT
SCHEMBL625746 0.81 PIK3CA (0.54) PIK3CAHASPINKCNH2FLT3KIT
SCHEMBL624869 0.81 PIK3CA (0.52) PIK3CAHASPINKCNH2MAP3K12

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