SCHEMBL624634

SCHEMBL624634

CCOC(=O)C1CCCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.52
THRB P10828 2/20 0.52
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 4/20 0.49

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
SCHEMBL625223 0.88 MAPT (0.49) MAPTTHRBLMNATP53POLB
SCHEMBL624633 0.88 PIK3CA (0.47) MAPTLMNATP53
SCHEMBL625178 0.87 MAPT (0.54) MAPTTHRBLMNATP53POLB
SCHEMBL626392 0.83 MAP3K12 (0.44) MAPTTHRBLMNATP53POLB
SCHEMBL625019 0.83 MAP3K12 (0.45) MAPTTHRBLMNAPOLB
SCHEMBL625202 0.82 MAP3K12 (0.43) MAPTTHRBLMNATP53POLB
SCHEMBL624866 0.82 PIK3CA (0.46) MAPTTHRBLMNATP53POLB
SCHEMBL626007 0.82 MAPT (0.51) MAPTTHRBLMNATP53POLB
SCHEMBL626106 0.81 THRB (0.49) MAPTTHRB
SCHEMBL623999 0.80 MAPT (0.55) MAPTTHRBLMNATP53POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed
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