SCHEMBL627467

SCHEMBL627467

Nc1ncc(-c2nc3sc(NC4CCC(N)CC4)nn3c2Cl)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.43
FYN P06241 4/20 0.39
PIK3CA P42336 9/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAP3K12 Q12852 4/20 0.36
CHEK1 O14757 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL627322 0.92 FYN (0.48) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL626795 0.87 PIK3CA (0.41) HASPINFYNPIK3CAPIK3CDPIK3CB
SCHEMBL627468 0.87 HASPIN (0.43) HASPINFYNPIK3CAPIK3CDPIK3CB
SCHEMBL627466 0.87 HASPIN (0.43) HASPINFYNPIK3CAPIK3CDPIK3CB
SCHEMBL626189 0.86 MAP3K12 (0.42) PIK3CAMAP3K12CCNT1
SCHEMBL628258 0.83 DPP4 (0.38) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL627321 0.79 FYN (0.48) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL627323 0.79 FYN (0.48) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL625109 0.76 CDK2 (0.46) PIK3CAMAP3K12CCNT1
SCHEMBL627439 0.76 FYN (0.63) HASPINFYNPIK3CA

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