SCHEMBL623883

SCHEMBL623883

FC(F)(F)c1cccc(-c2cn3nc(NCC4CCNCC4)sc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.52
EPHB4 P54760 1/20 0.50
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PIM1 P11309 7/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
FYN P06241 2/20 0.41
PIM2 Q9P1W9 3/20 0.40
VCP P55072 1/20 0.40
AURKA O14965 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
CASP6 P55212 1/20 0.38

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
SCHEMBL17004610 0.93 F2RL3 (0.57) F2RL3EPHB4PIM1FYNPIM2
SCHEMBL1946067 0.89 F2RL3 (0.52) F2RL3EPHB4PIM1FYNPIM2
SCHEMBL625504 0.86 PIM1 (0.56) F2RL3PIM1PIM2FLT3
SCHEMBL623847 0.86 F2RL3 (0.52) F2RL3EPHB4PIM1MEN1KMT2A
SCHEMBL624031 0.86 F2RL3 (0.50) F2RL3EPHB4PIM1FYNPIM2
SCHEMBL625205 0.85 F2RL3 (0.53) F2RL3EPHB4PIM1FYNVCP
SCHEMBL623852 0.84 FYN (0.42) F2RL3EPHB4FYNPIM2
SCHEMBL623578 0.82 F2RL3 (0.48) F2RL3EPHB4PIM1MEN1POLB
SCHEMBL2257601 0.82 F2RL3 (0.55) F2RL3MEN1KMT2AVCP
SCHEMBL628029 0.82 F2RL3 (0.49) F2RL3KDM1APIM1MEN1KMT2A

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