SCHEMBL1703334

SCHEMBL1703334

NC(=O)C1C2C=CC(C2)C1Nc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1Br

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 19/20 0.83
KDR P35968 18/20 0.83
AURKA O14965 1/20 0.72
LCK P06239 1/20 0.72
PDGFRA P16234 1/20 0.72
FGFR2 P21802 1/20 0.72
WEE1 P30291 1/20 0.72
FLT3 P36888 1/20 0.72
SYK P43405 1/20 0.72
GSK3B P49841 1/20 0.72
PRKCE Q02156 1/20 0.72
MAP3K7 O43318 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48

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
SCHEMBL3779676 1.00 AURKB (0.83) AURKBKDRAURKALCKPDGFRA
SCHEMBL3772714 1.00 AURKB (0.83) AURKBKDRAURKALCKPDGFRA
SCHEMBL3772251 0.94 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3779524 0.94 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3770078 0.93 AURKB (0.73) AURKBKDRAURKALCKPDGFRA
SCHEMBL3782467 0.93 AURKB (0.73) AURKBKDRAURKALCKPDGFRA
SCHEMBL3775043 0.92 AURKB (0.75) AURKBKDRAURKALCKPDGFRA
SCHEMBL3779484 0.91 KDR (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3776053 0.91 KDR (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3766977 0.86 AURKB (0.81) AURKBKDRAURKALCKPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed