SCHEMBL627222

SCHEMBL627222

COC1CCN(c2nn3c(I)cnc3s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
KCNH2 Q12809 8/20 0.39
HASPIN Q8TF76 6/20 0.39
FLT3 P36888 2/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
CDK7 P50613 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL627054 0.83 KDM4E (0.48) LMNATHRBTP53RXFP1
SCHEMBL23288616 0.76 KCNH2 (0.45) LMNATHRBKCNH2HASPINTP53
SCHEMBL626840 0.74 FYN (0.30)
SCHEMBL626842 0.74 FYN (0.30)
SCHEMBL627223 0.74 MAPT (0.40) LMNATHRBTP53RXFP1
SCHEMBL626886 0.73 CKS1B (0.50) LMNATP53
SCHEMBL627372 0.72 PIK3CA (0.57) KCNH2HASPINFLT3KITPIM1
SCHEMBL627087 0.72 HASPIN (0.42) LMNATHRBKCNH2HASPINFLT3
SCHEMBL627264 0.72 CKS1B (0.43) LMNATHRB
SCHEMBL23268299 0.71 LMNA (0.39) LMNATHRBKCNH2HASPINFLT3

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