SCHEMBL624034

SCHEMBL624034

Ic1cnc2sc(N3CCOCC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 5/20 0.47
THRB P10828 5/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL11005416 0.76 RXFP1 (0.61) LMNATP53RXFP1THRBMAPT
SCHEMBL23725824 0.76 HASPIN (0.41) LMNATP53RXFP1THRB
SCHEMBL23268398 0.75 HASPIN (0.39)
SCHEMBL627087 0.74 HASPIN (0.42) LMNATHRB
SCHEMBL23268407 0.72 HASPIN (0.47) LMNATP53RXFP1THRB
SCHEMBL627054 0.72 KDM4E (0.48) LMNATP53RXFP1THRBMAPT
SCHEMBL627772 0.72 HRH3 (0.41) LMNATP53RXFP1THRBPOLB
SCHEMBL627209 0.72 HASPIN (0.40) LMNATP53RXFP1THRB
SCHEMBL625796 0.72 PIK3CA (0.47) LMNATP53RXFP1THRBMAPT
SCHEMBL23288616 0.71 KCNH2 (0.45) LMNATP53RXFP1THRBMAPT

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