SCHEMBL625205

SCHEMBL625205

CC(=O)N1CCC(CNc2nn3cc(-c4cccc(C(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.53
CYP11B2 P19099 1/20 0.45
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
NPY5R Q15761 2/20 0.42
EPHX2 P34913 1/20 0.42
CNR2 P34972 1/20 0.41
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
PIM1 P11309 2/20 0.41
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41
FYN P06241 2/20 0.41
VCP P55072 1/20 0.41
EPHB4 P54760 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL628029 0.90 F2RL3 (0.49) F2RL3PIM1
SCHEMBL17004610 0.89 F2RL3 (0.57) F2RL3CNR2PIM1FYNVCP
SCHEMBL623847 0.88 F2RL3 (0.52) F2RL3CNR2PIM1FYNVCP
SCHEMBL623578 0.87 F2RL3 (0.48) F2RL3PIM1FYNVCPEPHB4
SCHEMBL624031 0.86 F2RL3 (0.50) F2RL3CNR2PIM1FYNVCP
SCHEMBL623883 0.85 F2RL3 (0.52) F2RL3PIM1FYNVCPEPHB4
SCHEMBL1946067 0.85 F2RL3 (0.52) F2RL3CNR2PIM1FYNVCP
SCHEMBL625204 0.82 FYN (0.60) PIM1FYN
SCHEMBL2250766 0.80 FYN (0.53) F2RL3PIM1FYNVCP
SCHEMBL625257 0.80 FYN (0.47) PIM1FYNVCP

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