SCHEMBL627209

SCHEMBL627209

Ic1cnc2sc(N3CCCC4(CCCN4)CC3)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 11/20 0.40
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
RXFP1 Q9HBX9 3/20 0.36
PIM1 P11309 2/20 0.36
KCNH2 Q12809 2/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
CDK7 P50613 1/20 0.36
PIM3 Q86V86 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
SCHEMBL627210 0.78 PIM1 (0.35) THRBCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23268288 0.75 LMNA (0.37) HASPINLMNATHRBTP53RXFP1
SCHEMBL625248 0.74 PIM2 (0.51) HASPINPIM1KCNH2KITFLT3
SCHEMBL23268407 0.73 HASPIN (0.47) HASPINLMNATHRBTP53RXFP1
SCHEMBL627087 0.72 HASPIN (0.42) HASPINLMNATHRBPIM1KCNH2
SCHEMBL12474119 0.71 HASPIN (0.41) HASPINLMNATHRBTP53RXFP1
SCHEMBL23268392 0.71 KCNH2 (0.52) HASPINLMNATHRBTP53RXFP1
SCHEMBL23725824 0.69 HASPIN (0.41) HASPINLMNATHRBTP53RXFP1
SCHEMBL23268337 0.69 HASPIN (0.42) HASPINLMNATHRBTP53RXFP1
SCHEMBL23268328 0.69 HASPIN (0.44) HASPINLMNATHRBTP53RXFP1

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