SCHEMBL9824429

SCHEMBL9824429

CCn1c2nc(N3CCC(N)C3)c(F)cc2c(=O)c2c(=O)[nH]sc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37
EDNRA P25101 1/20 0.37
TARBP2 Q15633 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL9824884 0.85 KMT2A (0.46) KMT2A
SCHEMBL9824269 0.84 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824594 0.84 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9823968 0.82 KMT2A (0.49) KMT2A
SCHEMBL9824535 0.82 KMT2A (0.45) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9209335 0.81 PIM1 (0.47)
SCHEMBL9824093 0.81 PRKD3 (0.47)
SCHEMBL9824575 0.80 ALDH1A1 (0.49)
SCHEMBL10576464 0.79
SCHEMBL606887 0.76

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