SCHEMBL19987100

SCHEMBL19987100

CC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 19/20 0.83
KCNH2 Q12809 4/20 0.83
PIM3 Q86V86 1/20 0.81
PIM2 Q9P1W9 1/20 0.81
JAK2 O60674 1/20 0.60
CDK2 P24941 1/20 0.60
FLT3 P36888 1/20 0.60
GSK3B P49841 1/20 0.60
JAK3 P52333 1/20 0.60
PRKCQ Q04759 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60

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
SCHEMBL136162 0.91 PIM1 (1.00) PIM1KCNH2PIM3PIM2JAK2
SCHEMBL102865 0.91 PIM1 (1.00) PIM1KCNH2PIM3PIM2JAK2
SCHEMBL14639168 0.90 PIM1 (0.83) PIM1KCNH2PIM3PIM2JAK2
SCHEMBL14639167 0.90 PIM1 (0.83) PIM1KCNH2PIM3PIM2JAK2
SCHEMBL24736843 0.90 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL19987067 0.90 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL21475438 0.89 PIM1 (0.79) PIM1KCNH2PIM3PIM2JAK2
Nuvisertib SCHEMBL30863763 0.89 PIM1 (1.00) PIM1KCNH2PIM3PIM2JAK2
Nuvisertib SCHEMBL102560 0.89 PIM1 (1.00) PIM1KCNH2PIM3PIM2JAK2
Nuvisertib SCHEMBL19986953 0.89 PIM1 (1.00) PIM1KCNH2PIM3PIM2JAK2

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
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed