SCHEMBL2714520

SCHEMBL2714520

CCS(=O)(=O)N(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.46
▸ JAK3 P52333 3/20 0.39
▸ AURKA O14965 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ PTK2 Q05397 3/20 0.36
▸ FLT4 P35916 3/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ WEE1 P30291 1/20 0.35

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
SCHEMBL2713319 0.92 SYK (0.46) SYKJAK3AURKALCKCSF1R
SCHEMBL2715319 0.87 SYK (0.46) SYKJAK3AURKAEGFRLCK
SCHEMBL2712371 0.84 SYK (0.47) SYKJAK3AURKAEGFRLCK
SCHEMBL2696749 0.80 SYK (0.49) SYKJAK3EGFRLCKBTK
SCHEMBL2695805 0.79 SYK (0.44) SYKJAK3EGFRLCKBTK
SCHEMBL2696461 0.78 JAK3 (0.47) SYKJAK3AURKACNR2
SCHEMBL2696447 0.78 SYK (0.49) SYKJAK3
SCHEMBL2697496 0.77 SYK (0.52) SYKJAK3EGFRLCKBTK
SCHEMBL2696951 0.76 SYK (0.48) SYKJAK3EGFRLCKBTK
SCHEMBL4403243 0.75 SYK (0.52) SYKJAK3CNR2

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-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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