SCHEMBL628028

SCHEMBL628028

CC(C)(C)OC(=O)N1CCC(CNc2nn3c(-c4cccc(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.56
PIM1 P11309 7/20 0.49
MKNK1 Q9BUB5 1/20 0.47
TGFBR1 P36897 1/20 0.46
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
GAK O14976 1/20 0.43
STK10 O94804 1/20 0.43
YES1 P07947 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
FLT3 P36888 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
PKN1 Q16512 1/20 0.43
HASPIN Q8TF76 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SLK Q9H2G2 1/20 0.43
BMP2K Q9NSY1 1/20 0.43

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
SCHEMBL625204 0.89 FYN (0.60) FYNPIM1MKNK1PIM3PIM2
SCHEMBL624532 0.89 PIM1 (0.62) FYNPIM1PIM3PIM2GAK
SCHEMBL624057 0.87 FYN (0.60) FYNPIM1MKNK1TGFBR1
SCHEMBL626982 0.87 FYN (0.56) FYNPIM1MKNK1KDM4EPKM
SCHEMBL17004609 0.85 FYN (0.67) FYNPIM1MKNK1PIM3PIM2
SCHEMBL623846 0.84 FYN (0.57) FYNPIM1MKNK1PIM3PIM2
SCHEMBL628029 0.83 F2RL3 (0.49) PIM1TGFBR1KDM4EPKMCCNA2
SCHEMBL624984 0.83 PIK3CA (0.48) FYNPIM1MKNK1
SCHEMBL623577 0.83 FYN (0.63) FYNPIM1MKNK1
SCHEMBL624030 0.82 FYN (0.59) FYNPIM1MKNK1PIM3PIM2

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