SCHEMBL9824544

SCHEMBL9824544

CC1CN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2F)CC1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.33
PRKD3 O94806 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
IRAK1 P51617 1/20 0.33
RPS6KA3 P51812 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM3 Q86V86 1/20 0.33
CSNK1G3 Q9Y6M4 1/20 0.33
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31
RARB P10826 1/20 0.31
TBXAS1 P24557 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GLA P06280 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10771643 0.91 LMNA (0.37) GSK3BPRKD3PIM1GSK3AIRAK1
SCHEMBL10669165 0.84 EPHA2 (0.45) GSK3BEPHA2FLT4RARBTBXAS1
SCHEMBL9824055 0.84 CYP3A4 (0.32) ALDH1A1POLB
SCHEMBL9824600 0.84 KCNH2 (0.36) PRKD3LMNAKDM4EALDH1A1POLB
SCHEMBL9824485 0.83 PRKD3 (0.39) GSK3BPRKD3PIM1GSK3AIRAK1
SCHEMBL10767733 0.82 KMT2A (0.46) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL9824300 0.82
SCHEMBL9824212 0.82 MEN1 (0.39) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL9823950 0.81 LMNA (0.46) SLC6A3LMNAKDM4EALDH1A1HPGD
SCHEMBL10577456 0.78 KMT2A (0.31) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed