SCHEMBL11499102

SCHEMBL11499102

Cn1ccnc1NC(=O)c1cnc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
STAMBP O95630 9/20 0.45
PSMD14 O00487 9/20 0.45
COPS5 Q92905 6/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
MAPT P10636 1/20 0.39
BRAF P15056 2/20 0.38
EGFR P00533 1/20 0.38
RET P07949 2/20 0.38

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
SCHEMBL10871494 0.77 PSMD14 (0.69) HPGDSSTAMBPPSMD14COPS5MAPT
SCHEMBL28235432 0.74 PSMD14 (0.60) HPGDSSTAMBPPSMD14COPS5
SCHEMBL11375854 0.74 GSK3A (0.37) HPGDSKDM4EPOLBMAPT
SCHEMBL7451848 0.73 PSMD14 (0.61) HPGDSSTAMBPPSMD14COPS5
SCHEMBL6084771 0.72 TAS1R3 (0.57) HPGDS
SCHEMBL6084781 0.72 TAS1R3 (0.57) HPGDS
SCHEMBL3894242 0.71 HPGDS (0.50) HPGDSKDM4ERPS6KA3RPS6KA2MAPT
SCHEMBL10941294 0.71 TYK2 (0.35) HPGDSKDM4EMAPT
SCHEMBL24820402 0.70 HPGDS (0.43) HPGDSKDM4EPOLBRPS6KA3RPS6KA2
SCHEMBL4158191 0.70 ALDH1A1 (0.44) BRAF

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-0040573-A2 2-Substituted-4-hydroxy-3-quinolinecarboxylic acids, their preparation, their use as medicaments, compositions containing them and intermediates ROUSSEL-UCLAF (FR) 1981-11-25 EP disclosed