SCHEMBL627088

SCHEMBL627088

NC1CC2(CCN(c3nn4cc(I)nc4s3)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
HASPIN Q8TF76 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL627087 0.75 HASPIN (0.42) HASPINTHRB
SCHEMBL627055 0.68 MAPT (0.48) MAPTTHRB
SCHEMBL1650185 0.59 TP53 (0.44) MAPT
SCHEMBL627245 0.57 F2RL3 (0.50)
SCHEMBL32665054 0.56 ALDH1A1 (0.42) MAPT
SCHEMBL21287507 0.55 PTPN11 (0.60)
SCHEMBL24462109 0.54 PTGES (0.50) MAPTTHRB
SCHEMBL21287759 0.54 PTPN11 (0.59)
SCHEMBL20935384 0.53 NCF1 (0.41)
SCHEMBL14033223 0.53

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