SCHEMBL623995

SCHEMBL623995

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.44
DYRK1A Q13627 5/20 0.43
KCNH2 Q12809 2/20 0.43
FYN P06241 1/20 0.41
GAK O14976 1/20 0.41
STK10 O94804 1/20 0.41
YES1 P07947 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
FLT3 P36888 1/20 0.41
ACVR1 Q04771 1/20 0.41
PKN1 Q16512 1/20 0.41
PIM3 Q86V86 1/20 0.41
HASPIN Q8TF76 1/20 0.41
SIK2 Q9H0K1 1/20 0.41
SLK Q9H2G2 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41

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
SCHEMBL624527 0.96 PIM1 (0.43) PIM1DYRK1AKCNH2RET
SCHEMBL625511 0.95 PIM1 (0.45) PIM1DYRK1AKCNH2FYNHASPIN
SCHEMBL623996 0.85 THRB (0.42) PIM1RETCYP11B2
SCHEMBL623206 0.85 PIM1 (0.47) PIM1DYRK1AKCNH2
SCHEMBL625495 0.84 PIM1 (0.46) PIM1KCNH2FYNGAKSTK10
SCHEMBL625741 0.84 PIM1 (0.45) PIM1DYRK1AFYN
SCHEMBL624528 0.82 CYP3A4 (0.41) RETCYP11B2
SCHEMBL624453 0.81 PIM1 (0.51) PIM1KCNH2FYNGAKSTK10
SCHEMBL626627 0.80 PIM1 (0.45) PIM1DYRK1AKCNH2
SCHEMBL625512 0.80 THRB (0.44) PIM1CYP11B2

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