SCHEMBL627161

SCHEMBL627161

CCN1CCN(CCNc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.56
FYN P06241 4/20 0.51
FLT3 P36888 2/20 0.48
KCNH2 Q12809 2/20 0.48
PIM3 Q86V86 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
GAK O14976 1/20 0.48
STK10 O94804 1/20 0.48
YES1 P07947 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
CSNK2A2 P19784 1/20 0.48
ACVR1 Q04771 1/20 0.48
PKN1 Q16512 1/20 0.48
HASPIN Q8TF76 1/20 0.48
SIK2 Q9H0K1 1/20 0.48
SLK Q9H2G2 1/20 0.48
BMP2K Q9NSY1 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
RPS6KA6 Q9UK32 1/20 0.48

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
SCHEMBL624083 0.94 PIM1 (0.57) PIM1FYNFLT3KCNH2PIM3
SCHEMBL2253768 0.91 PIM1 (0.58) PIM1FYNFLT3KCNH2PIM3
SCHEMBL625516 0.90 PIM1 (0.57) PIM1FYNFLT3KCNH2PIM3
SCHEMBL1944701 0.90 PIM1 (0.70) PIM1FYNFLT3KCNH2PIM3
SCHEMBL623028 0.87 ACKR3 (0.54) PIM1FYNFLT3KCNH2PIM3
SCHEMBL1944083 0.83 PIM1 (0.57) PIM1FYN
SCHEMBL1944568 0.83 PIM1 (0.51) PIM1FYNFLT3KCNH2PIM3
SCHEMBL627162 0.82 F2RL3 (0.44) PIM1PIM3PIM2
SCHEMBL1946083 0.82 DYRK1A (0.53) PIM1FYN
SCHEMBL1945211 0.82 FYN (0.65) PIM1FYN

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