SCHEMBL9615970

SCHEMBL9615970

CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c3n21

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
CSNK1G1 Q9HCP0 1/20 0.77
PRKD3 O94806 1/20 0.56
IRAK1 P51617 1/20 0.56
RPS6KA3 P51812 1/20 0.56
DYRK1A Q13627 1/20 0.56
CSNK1G3 Q9Y6M4 1/20 0.56
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
TOP2A P11388 12/20 0.45
TOP2B Q02880 10/20 0.45
TOP1 P11387 4/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9694104 1.00 PIM1 (0.77) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693946 1.00 PIM1 (0.77) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692577 0.92 PIM1 (0.65) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692559 0.92 PIM1 (0.65) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694087 0.92 PIM1 (0.65) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9234097 0.88 PIM1 (0.70) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9234385 0.88 PIM1 (0.70) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9234090 0.88 PIM1 (0.70) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692601 0.87 PIM1 (0.60) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692593 0.87 PIM1 (0.60) PIM1GSK3AGSK3BPIM3CSNK1G1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126337-A Wide-spectrum bactericides HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-06-30 US claimed
EP-0465716-A1 Optically active thiazetoquino-line-3-carboxylic acid compound, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP claimed
JP-4178326-A None JP disclosed
US-5126337-A Wide-spectrum bactericides HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-06-30 US disclosed
JP-H04178326-A ANTINEOPLASTIC AGENT HOKURIKU SEIYAKU CO LTD 1992-06-25 JP disclosed
EP-0465716-A1 Optically active thiazetoquino-line-3-carboxylic acid compound, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed