SCHEMBL525472

SCHEMBL525472

NC(=O)c1onc2c1CCc1cncnc1-2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 18/20 0.35
CDK2 P24941 18/20 0.35
CCNA1 P78396 16/20 0.35
AURKA O14965 9/20 0.35
PLK1 P53350 4/20 0.33
TTK P33981 3/20 0.33
PLK3 Q9H4B4 2/20 0.33
PLK2 Q9NYY3 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CDK4 P11802 3/20 0.32
CCND3 P30281 3/20 0.32
CDK6 Q00534 3/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32

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
SCHEMBL12473977 0.83 CYP1A2 (0.33) CCNA2CDK2CCNA1AURKACCNC
SCHEMBL525783 0.82 RAB9A (0.34) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL526227 0.78 KDM4E (0.43) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL12473976 0.76 TTK (0.42) CCNA2CDK2CCNA1AURKATTK
SCHEMBL1559147 0.73 CCNA2 (0.36) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL525744 0.73 CCNA2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940540 0.72 CCNA2 (0.57) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL525980 0.70 RAB9A (0.39)
SCHEMBL12466445 0.70 NNMT (0.38) CCNA2CDK2CCNA1AURKAPLK1
Phosphoric Acid SCHEMBL20600108 0.69 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP claimed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO claimed
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed