SCHEMBL623580

SCHEMBL623580

CCNC(=O)N1CCC(CN(C(=O)OC(C)(C)C)c2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.40
CHRM2 P08172 1/20 0.37
TYRO3 Q06418 1/20 0.36
CHRM4 P08173 1/20 0.35
FYN P06241 1/20 0.35
KCNH2 Q12809 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
FLT3 P36888 2/20 0.35
PIM3 Q86V86 2/20 0.35
GLS O94925 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
GAK O14976 1/20 0.35
STK10 O94804 1/20 0.35
YES1 P07947 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2A2 P19784 1/20 0.35
ACVR1 Q04771 1/20 0.35
PKN1 Q16512 1/20 0.35

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
SCHEMBL623579 0.86 PIM1 (0.49) PIM1FYNKCNH2PIM2FLT3
SCHEMBL625331 0.82 PIM1 (0.45) PIM1KCNH2PIM2GLSMAPT
SCHEMBL624042 0.82 PIM1 (0.48) PIM1KCNH2PIM2FLT3PIM3
SCHEMBL624533 0.76 PIM1 (0.53) PIM1KCNH2PIM2FLT3PIM3
SCHEMBL625035 0.74 THRB (0.48) PIM1MAPT
SCHEMBL624009 0.74 PIM1 (0.44) PIM1TYRO3FYNKCNH2PIM2
SCHEMBL623873 0.73 IDH1 (0.44) PIM1KCNH2MAPT
SCHEMBL623014 0.71 F2RL3 (0.42) PIM1CHRM2FYNKCNH2PIM2
SCHEMBL624434 0.70 JAK2 (0.48) USP30MAPT
SCHEMBL625501 0.69 PIM1 (0.43) PIM1TYRO3KCNH2PIM2FLT3

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