SCHEMBL9824535

SCHEMBL9824535

CCn1c2nc(N3CCC(N)C3)c(F)cc2c(=O)c2c(=O)[nH]oc21

nearest known ligand 0.45

Predicted protein targets (top 20)

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
HRH4 Q9H3N8 3/20 0.36
PIM3 Q86V86 3/20 0.36
RPS6KB1 P23443 1/20 0.36
MATK P42679 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
AURKB Q96GD4 1/20 0.36
KDM1A O60341 2/20 0.35
MAT2A P31153 1/20 0.35
DPP4 P27487 3/20 0.34
AKT1 P31749 2/20 0.33
PIM1 P11309 2/20 0.33
GSK3A P49840 2/20 0.33

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
SCHEMBL9824074 0.85 KMT2A (0.46) KMT2AHRH4PIM3RPS6KB1MATK
SCHEMBL10770013 0.85 LMNA (0.43) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9825107 0.84 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824232 0.84 LMNA (0.42) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9824649 0.82 PIM1 (0.45) PIM3PIM1GSK3ACHRM2GSK3B
SCHEMBL9824747 0.82 KMT2A (0.49) KMT2ALMNAHRH4PIM3RPS6KB1
SCHEMBL9824429 0.82 KMT2A (0.45) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9824920 0.81 PIM1 (0.45) KMT2ALMNAPIM3DYRK1APIM1
Hydrochloric Acid SCHEMBL10766907 0.81 KMT2A (0.58) KMT2ALMNAHRH4MAT2ADPP4
SCHEMBL10576387 0.80 PIM1 (0.35) PIM3KDM1APIM1GSK3APIM2

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