SCHEMBL13359305

SCHEMBL13359305

CSc1nccc(-c2c[nH]nc2-c2ccc(O)c(O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CCNA1 P78396 1/20 0.42
LMNA P02545 1/20 0.41
MAPK14 Q16539 4/20 0.41
JAK3 P52333 2/20 0.41
CSNK1D P48730 2/20 0.41
IDO1 P14902 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3CA P42336 1/20 0.36
CSNK1E P49674 2/20 0.34
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34

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
SCHEMBL1554639 0.81 MAPK14 (0.54) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL13382569 0.80 CCNT1 (0.49) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL13382571 0.80 KDM4E (0.47) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL13359303 0.79 JAK3 (0.35) JAK3IDO1L3MBTL1POLBDYRK1A
SCHEMBL5094782 0.77 CCNT1 (0.42) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL13199646 0.77 CCNT1 (0.46) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL989130 0.76 CCNT1 (0.45) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL3912533 0.75 CCNA2 (0.44) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL3917686 0.75 CCNT1 (0.44) CCNA2CDK2CCNT1CDK9CDK5
SCHEMBL14480569 0.74 APP (0.53) JAK3IDO1DYRK1AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP disclosed