SCHEMBL9617588

SCHEMBL9617588

C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc3n21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.77
GSK3A P49840 2/20 0.77
GSK3B P49841 2/20 0.77
PIM3 Q86V86 2/20 0.77
PRKD3 O94806 1/20 0.77
IRAK1 P51617 1/20 0.77
RPS6KA3 P51812 1/20 0.77
DYRK1A Q13627 1/20 0.77
CSNK1G3 Q9Y6M4 1/20 0.77
LMNA P02545 3/20 0.59
CSNK1G1 Q9HCP0 1/20 0.56
TOP1 P11387 5/20 0.49
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL9693620 1.00 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9617590 1.00 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9523705 0.94 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9524971 0.89 PIM1 (0.61) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9522195 0.88 LMNA (0.65) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9559230 0.88 PIM1 (0.60) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9523333 0.88 PIM1 (0.60) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9523388 0.87 LMNA (0.64) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9228672 0.87 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9228679 0.87 PIM1 (0.69) PIM1GSK3AGSK3BPIM3PRKD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4253982-A None JP disclosed
JP-H04253982-A OPTICALLY ACTIVE THIAZETOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE, ITS PRODUCTION AND USE HOKURIKU SEIYAKU CO LTD 1992-09-09 JP disclosed