SCHEMBL9824344

SCHEMBL9824344

CN1CCN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.39
PARP1 P09874 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
TRPV4 Q9HBA0 4/20 0.38
HRH4 Q9H3N8 2/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9824481 0.90 LMNA (0.43) HRH4LMNA
SCHEMBL9824254 0.85 KMT2A (0.34) LMNAKMT2A
SCHEMBL9823968 0.84 KMT2A (0.49) HRH4KMT2A
SCHEMBL9824269 0.82 LMNA (0.42) LMNA
SCHEMBL9824797 0.81 TNKS (0.39) TNKSPARP1TNKS2TRPV4HRH4
SCHEMBL9824335 0.81
SCHEMBL9824075 0.81 KMT2A (0.52) MEN1LMNAKMT2A
SCHEMBL9824962 0.79 ALK (0.39) MEN1LMNAKMT2A
SCHEMBL10573523 0.73
SCHEMBL9824358 0.73 EPHA2 (0.45) LMNAKMT2A

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