SCHEMBL626007

SCHEMBL626007

CCNC(=O)NC1CCCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.51
THRB P10828 2/20 0.51
LMNA P02545 6/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 3/20 0.42
PIK3CA P42336 1/20 0.41

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
SCHEMBL624866 0.90 PIK3CA (0.46) MAPTTHRBLMNAPOLBTP53
SCHEMBL626006 0.88 PIK3CA (0.46) MAPTTHRBLMNATP53PIK3CA
SCHEMBL624870 0.85 MAPT (0.42) MAPTTHRBLMNAPOLBTP53
SCHEMBL627328 0.82 PIK3CA (0.44) PIK3CA
SCHEMBL625178 0.82 MAPT (0.54) MAPTTHRBLMNAPOLBTP53
SCHEMBL624634 0.82 MAPT (0.52) MAPTTHRBLMNAPOLBTP53
SCHEMBL624991 0.82 SYK (0.45) PIK3CA
SCHEMBL625223 0.82 MAPT (0.49) MAPTTHRBLMNAPOLBTP53
SCHEMBL626392 0.82 MAP3K12 (0.44) MAPTTHRBLMNAPOLBTP53
SCHEMBL625019 0.81 MAP3K12 (0.45) MAPTTHRBLMNAPOLB

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