SCHEMBL627087

SCHEMBL627087

NC1CC2(CCN(c3nn4c(I)cnc4s3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 15/20 0.42
KCNH2 Q12809 5/20 0.37
FLT3 P36888 3/20 0.37
KIT P10721 1/20 0.37
PIM1 P11309 1/20 0.37
CDK7 P50613 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL23268398 0.78 HASPIN (0.39) HASPINKCNH2
SCHEMBL23268599 0.77 HASPIN (0.38) HASPINKCNH2FLT3KITPIM1
SCHEMBL23268407 0.76 HASPIN (0.47) HASPINKCNH2FLT3PIM1LMNA
SCHEMBL627088 0.75 MAPT (0.32) HASPINTHRB
SCHEMBL23268370 0.75 HASPIN (0.47) HASPINKCNH2FLT3KITPIM1
SCHEMBL627209 0.72 HASPIN (0.40) HASPINKCNH2FLT3KITPIM1
SCHEMBL23268328 0.71 HASPIN (0.44) HASPINKCNH2FLT3PIM1LMNA
SCHEMBL23268288 0.71 LMNA (0.37) HASPINKCNH2FLT3KITPIM1
SCHEMBL23725824 0.69 HASPIN (0.41) HASPINLMNATHRB
SCHEMBL627406 0.69 CYP1A2 (0.46) HASPINLMNATHRB

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