SCHEMBL16494256

SCHEMBL16494256

O=C1Cc2c(cccc2Nc2nccc(NCc3ccc4[nH]cnc4c3)n2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.47
▸ PTK2 Q05397 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ CDC7 O00311 2/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CSF1R P07333 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ ULK2 Q8IYT8 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ BCL6 P41182 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ PAK4 O96013 2/20 0.33
▸ PAK1 Q13153 2/20 0.33
▸ MAP3K14 Q99558 1/20 0.33

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
SCHEMBL16495005 0.88 JAK2 (0.39) JAK2PTK2GSK3BCLK4AURKA
SCHEMBL16494830 0.87 JAK2 (0.47) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16495140 0.86 JAK2 (0.47) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16494405 0.86 JAK2 (0.48) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16494276 0.84 JAK2 (0.47) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16494695 0.84 JAK2 (0.48) JAK2PTK2PTK2BAURKAAURKB
SCHEMBL12185465 0.78 EPHB4 (0.46) JAK2PTK2CDC7MAP4K4PIM1
SCHEMBL16494255 0.78 JAK2 (0.43) JAK2KDR
SCHEMBL16494901 0.75 JAK2 (0.37) JAK2GSK3BBCL6
SCHEMBL16494733 0.74 JAK2 (0.38) JAK2

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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