SCHEMBL626463

SCHEMBL626463

NC(=O)C1CCN(c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.53
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KCNH2 Q12809 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL625620 0.89 PIK3CA (0.56) PIK3CAKCNH2
SCHEMBL625746 0.89 PIK3CA (0.54) PIK3CAKCNH2
SCHEMBL627410 0.88 PIK3CA (0.57) PIK3CAKCNH2
SCHEMBL624411 0.85 PIK3CA (0.54) PIK3CAKCNH2
SCHEMBL626464 0.85 MAPT (0.47) PIK3CALMNAL3MBTL1
SCHEMBL627372 0.85 PIK3CA (0.57) PIK3CAKCNH2
SCHEMBL625227 0.84 PIK3CA (0.55) PIK3CAKCNH2
SCHEMBL625222 0.83 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL624388 0.83 PIK3CA (0.55) PIK3CAKCNH2
SCHEMBL624967 0.83 PIK3CA (0.55) 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