SCHEMBL1703612

SCHEMBL1703612

CN(C)CCn1cc(Nc2ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n2)cn1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.82
AURKB Q96GD4 20/20 0.82
AURKA O14965 1/20 0.62
LCK P06239 1/20 0.62
PDGFRA P16234 1/20 0.62
FGFR2 P21802 1/20 0.62
WEE1 P30291 1/20 0.62
FLT3 P36888 1/20 0.62
SYK P43405 1/20 0.62
GSK3B P49841 1/20 0.62
PRKCE Q02156 1/20 0.62

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
SCHEMBL3771185 1.00 KDR (0.82) KDRAURKBAURKALCKPDGFRA
SCHEMBL3773569 1.00 KDR (0.82) KDRAURKBAURKALCKPDGFRA
SCHEMBL3780278 0.93 KDR (0.82) KDRAURKBAURKALCKPDGFRA
SCHEMBL3771703 0.93 KDR (0.82) KDRAURKBAURKALCKPDGFRA
SCHEMBL3777798 0.90 KDR (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3780161 0.89 KDR (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3772320 0.89 KDR (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3784712 0.89 KDR (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3777790 0.89 KDR (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL1703186 0.89 KDR (0.83) KDRAURKBAURKALCKPDGFRA

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