SCHEMBL1704233

SCHEMBL1704233

CC(C)n1cc(Nc2ncc(Br)c(N[C@H]3C(C(N)=O)C4C=C[C@H]3C4)n2)cn1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 20/20 0.80
KDR P35968 19/20 0.80
AURKA O14965 1/20 0.80
LCK P06239 1/20 0.80
PDGFRA P16234 1/20 0.80
FGFR2 P21802 1/20 0.80
WEE1 P30291 1/20 0.80
FLT3 P36888 1/20 0.80
SYK P43405 1/20 0.80
GSK3B P49841 1/20 0.80
PRKCE Q02156 1/20 0.80

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
SCHEMBL3773090 1.00 AURKB (0.80) AURKBKDRAURKALCKPDGFRA
SCHEMBL3780209 0.91 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3780219 0.91 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3782346 0.91 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3782334 0.91 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3769762 0.90 KDR (0.80) AURKBKDRAURKALCKPDGFRA
SCHEMBL3780863 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3773117 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3780289 0.86 AURKB (0.81) AURKBKDRAURKALCKPDGFRA
SCHEMBL3780181 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 claimed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO claimed