SCHEMBL627199

SCHEMBL627199

CN1CCC(Nc2nn3c(I)cnc3s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.46
HASPIN Q8TF76 1/20 0.43
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
POLB P06746 1/20 0.35
KAT2B Q92831 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL627167 0.84 FYN (0.46) FYNHASPINCDK2JAK2JAK3
SCHEMBL628243 0.83 FYN (0.46) FYNHASPINMKNK1
SCHEMBL627017 0.82 FYN (0.47) FYNHASPIN
SCHEMBL627849 0.82 FYN (0.46) FYNHASPINMKNK1JAK1JAK3
SCHEMBL626175 0.82 FYN (0.46) FYNHASPINMKNK1
SCHEMBL627314 0.81 MKNK1 (0.53) FYNHASPINMKNK1
SCHEMBL627262 0.80 CCNA2 (0.48) FYNCCNA2CDK2JAK1
SCHEMBL627384 0.79 FYN (0.48) FYNHASPINMKNK1
SCHEMBL625117 0.78 FYN (0.42) FYNHASPINMKNK1
SCHEMBL627106 0.76 FYN (0.44) FYNHASPINJAK2JAK1JAK3

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