SCHEMBL16495140

SCHEMBL16495140

Cc1nc2cc(CNc3ccnc(Nc4cccc5c4CC(=O)N5)n3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.47
▸ PTK2 Q05397 2/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ MAP3K14 Q99558 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ CDC7 O00311 2/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ CSF1R P07333 3/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ ULK2 Q8IYT8 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ BCL6 P41182 1/20 0.32
▸ KDR P35968 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
SCHEMBL16494901 0.89 JAK2 (0.37) JAK2GSK3BGSK3ABCL6
SCHEMBL16494695 0.87 JAK2 (0.48) JAK2PTK2PTK2BMAP3K14AURKA
SCHEMBL16494256 0.86 JAK2 (0.47) JAK2PTK2PTK2BMAP3K14AURKA
SCHEMBL16494830 0.84 JAK2 (0.47) JAK2PTK2PTK2BMAP3K14AURKA
SCHEMBL16494276 0.83 JAK2 (0.47) JAK2PTK2PTK2BAURKBGSK3B
SCHEMBL16494405 0.83 JAK2 (0.48) JAK2PTK2PTK2BMAP3K14GSK3B
SCHEMBL16495136 0.79 JAK2 (0.42) JAK2KDR
SCHEMBL16495005 0.78 JAK2 (0.39) JAK2PTK2AURKAAURKBGSK3B
SCHEMBL16494733 0.75 JAK2 (0.38) JAK2
SCHEMBL16495120 0.74 KDR (0.39) JAK2AURKBGSK3BMAP4K4PIM1

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-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 — — EP disclosed
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