SCHEMBL627612

SCHEMBL627612

Nc1ncc(-c2cnc3sc(NCC4CCC(O)CC4)nn23)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.56
MKNK1 Q9BUB5 1/20 0.54
PIK3CA P42336 8/20 0.52

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
SCHEMBL627610 1.00 FYN (0.56) FYNMKNK1PIK3CA
SCHEMBL627782 0.89 PIK3CA (0.56) FYNMKNK1PIK3CA
SCHEMBL626701 0.89 MKNK1 (0.52) FYNMKNK1PIK3CA
SCHEMBL625672 0.88 PIK3CA (0.53) FYNMKNK1PIK3CA
SCHEMBL627441 0.86 FYN (0.63) FYNPIK3CA
SCHEMBL627439 0.86 FYN (0.63) FYNPIK3CA
SCHEMBL626581 0.84 FYN (0.47) FYNMKNK1PIK3CA
SCHEMBL627611 0.84 MAP3K12 (0.43) FYNPIK3CA
SCHEMBL624984 0.83 PIK3CA (0.48) FYNMKNK1PIK3CA
SCHEMBL12474083 0.81 PIK3CA (0.57) FYNPIK3CA

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