SCHEMBL16494830

SCHEMBL16494830

O=C1Cc2c(cccc2Nc2nccc(NCc3ccc4[nH]ccc4c3)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
▸ NMT1 P30419 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CDC7 O00311 1/20 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
▸ PRKCQ Q04759 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34

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
SCHEMBL16494405 0.94 JAK2 (0.48) JAK2PTK2PTK2BBACE1CDC7
SCHEMBL16494256 0.87 JAK2 (0.47) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16494733 0.87 JAK2 (0.38) JAK2NMT1BACE1PRKCQHDAC1
SCHEMBL16494276 0.87 JAK2 (0.47) JAK2PTK2PTK2BEGFRCDC7
SCHEMBL16494695 0.86 JAK2 (0.48) JAK2PTK2PTK2BMAP3K14AURKA
SCHEMBL16495140 0.84 JAK2 (0.47) JAK2PTK2PTK2BCDC7MAP4K4
SCHEMBL16495191 0.82 PTK2 (0.40) PTK2PTK2BNMT1EGFRPAK4
SCHEMBL2598604 0.82 PTK2 (0.45) PTK2PTK2BNMT1EGFRCDC7
SCHEMBL16494497 0.82 PTK2 (0.45) PTK2PTK2BNMT1EGFRCDC7
SCHEMBL16494581 0.82 PTK2 (0.40) PTK2PTK2BNMT1EGFRPAK4

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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