SCHEMBL627200

SCHEMBL627200

CN1CCC(Nc2nn3cc(I)nc3s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
EHMT2 Q96KQ7 7/20 0.34
EHMT1 Q9H9B1 7/20 0.34
KAT2B Q92831 2/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PIM1 P11309 1/20 0.33
IKBKB O14920 1/20 0.33
ACHE P22303 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL627168 0.84 CCNE1 (0.39) IKBKBCDK2
SCHEMBL628244 0.83 MAPK1 (0.36) CDK2FYN
SCHEMBL627850 0.81 JAK1 (0.35) PIM1CCNA2CDK2FYN
SCHEMBL627315 0.81 MKNK1 (0.37) ACHEFYN
SCHEMBL627884 0.80 CCNA2 (0.50) CCNA2CDK2
SCHEMBL625118 0.78 POLB (0.31) POLB
SCHEMBL626399 0.76 KDM1A (0.38) CCNA2CDK2
SCHEMBL627199 0.74 FYN (0.46) POLBKAT2BCCNA2CDK2CCNA1
SCHEMBL2257064 0.71 MKNK1 (0.44) PIM1ACHECDK2FYN
SCHEMBL623435 0.70 PIM1 (0.46) PIM1

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