SCHEMBL626581

SCHEMBL626581

CCNC(=O)N1CCC(CNc2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.47
PIK3CA P42336 11/20 0.47
MKNK1 Q9BUB5 1/20 0.45
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
SCD O00767 1/20 0.38
CYP3A4 P08684 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
SCHEMBL625672 0.87 PIK3CA (0.53) FYNPIK3CAMKNK1
SCHEMBL624984 0.87 PIK3CA (0.48) FYNPIK3CAMKNK1
SCHEMBL626582 0.86 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGSCD
SCHEMBL626133 0.84 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL627612 0.84 FYN (0.56) FYNPIK3CAMKNK1
SCHEMBL627610 0.84 FYN (0.56) FYNPIK3CAMKNK1
SCHEMBL626701 0.84 MKNK1 (0.52) FYNPIK3CAMKNK1
SCHEMBL626134 0.84 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL627782 0.82 PIK3CA (0.56) FYNPIK3CAMKNK1
SCHEMBL626298 0.80 PIK3CA (0.53) FYNPIK3CAPIK3CDPIK3CBPIK3CG

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