SCHEMBL625504

SCHEMBL625504

FC(F)(F)Oc1cccc(-c2cn3nc(NCC4CCNCC4)sc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.56
PIM3 Q86V86 5/20 0.47
KCNH2 Q12809 5/20 0.47
PIM2 Q9P1W9 5/20 0.47
FLT3 P36888 4/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAK O14976 1/20 0.44
STK10 O94804 1/20 0.44
YES1 P07947 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
CSNK2A2 P19784 1/20 0.44
ACVR1 Q04771 1/20 0.44
PKN1 Q16512 1/20 0.44
HASPIN Q8TF76 1/20 0.44
SIK2 Q9H0K1 1/20 0.44

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
SCHEMBL1945253 0.94 PIM1 (0.47) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL1944168 0.90 PIM1 (0.55) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL624816 0.89 PIM1 (0.51) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL623883 0.86 F2RL3 (0.52) PIM1PIM2FLT3F2RL3
SCHEMBL624879 0.86 PIM1 (0.50) PIM1PIM3KCNH2PIM2FLT3
Hydrochloric Acid SCHEMBL625023 0.86 PIM1 (0.45) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL624837 0.85 PIM1 (0.47) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL624042 0.85 PIM1 (0.48) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL625517 0.83 PIM1 (0.47) PIM1PIM3KCNH2PIM2FLT3
SCHEMBL624533 0.83 PIM1 (0.53) PIM1PIM3KCNH2PIM2FLT3

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