SCHEMBL626288

SCHEMBL626288

Nc1ncc(-c2cnc3sc(NCCN4CCNCC4)nn23)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.51
FYN P06241 6/20 0.51
KCNH2 Q12809 2/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
FLT3 P36888 1/20 0.39
CDK7 P50613 1/20 0.39
PIM3 Q86V86 1/20 0.39
HASPIN Q8TF76 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL626289 0.84 PIK3CA (0.42) PIK3CAFYNKCNH2
SCHEMBL626268 0.83 PIK3CA (0.59) PIK3CAFYNKCNH2KITPIM1
SCHEMBL626544 0.83 ACKR3 (0.55) PIK3CAFYN
SCHEMBL626701 0.83 MKNK1 (0.52) PIK3CAFYNKCNH2KITPIM1
SCHEMBL626144 0.82 PIK3CA (0.57) PIK3CAFYNKCNH2KITPIM1
SCHEMBL625235 0.79 FYN (0.52) PIK3CAFYNHASPIN
SCHEMBL624388 0.79 PIK3CA (0.55) PIK3CAKCNH2KITPIM1FLT3
SCHEMBL625672 0.78 PIK3CA (0.53) PIK3CAFYN
SCHEMBL12474083 0.78 PIK3CA (0.57) PIK3CAFYNKCNH2KITPIM1
SCHEMBL624441 0.78 PIK3CA (0.58) PIK3CAFYNKCNH2KITPIM1

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