SCHEMBL625036

SCHEMBL625036

CC(C)(C)OC(=O)NC(c1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.49
KCNH2 Q12809 3/20 0.43
TYRO3 Q06418 1/20 0.43
FYN P06241 1/20 0.43
DYRK1A Q13627 1/20 0.42
GAK O14976 1/20 0.42
STK10 O94804 1/20 0.42
YES1 P07947 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FLT3 P36888 1/20 0.42
ACVR1 Q04771 1/20 0.42
PKN1 Q16512 1/20 0.42
PIM3 Q86V86 1/20 0.42
HASPIN Q8TF76 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
SLK Q9H2G2 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL625189 0.81 PIK3CA (0.46)
SCHEMBL626888 0.79 AAK1 (0.34)
SCHEMBL624007 0.78 PIM1 (0.51) PIM1KCNH2FYNDYRK1AGAK
SCHEMBL623581 0.78 PIM1 (0.46) PIM1KCNH2FYNGAKSTK10
SCHEMBL625500 0.77 FYN (0.55) PIM1KCNH2FYN
SCHEMBL624838 0.76 PIM1 (0.48) PIM1KCNH2FYNDYRK1AGAK
SCHEMBL624880 0.76 PIM1 (0.51) PIM1KCNH2DYRK1A
SCHEMBL4574767 0.76 TAS1R3 (0.40) TYRO3
SCHEMBL625034 0.74 PIM1 (0.54) PIM1KCNH2GAKSTK10YES1
SCHEMBL624016 0.74 PIM1 (0.49) PIM1KCNH2GAKSTK10YES1

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