SCHEMBL2713025

SCHEMBL2713025

CN1CCC(C(=O)Nc2cc(Nc3cc(N(c4ccccc4)C4CC4)c(C(N)=O)cn3)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.46
▸ MAPK8 P45983 3/20 0.42
▸ MAPK10 P53779 3/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ ACVRL1 P37023 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PIP5K1C O60331 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ WNT1 P04628 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL2694742 0.82 JAK3 (0.48) JAK3MAPK8MAPK10PIK3C3ACVRL1
SCHEMBL2713024 0.77 JAK3 (0.38) JAK3GSK3BJAK2JAK1TYK2
SCHEMBL2713612 0.74 MAPK10 (0.55) MAPK8MAPK10
SCHEMBL2713978 0.73 SYK (0.54) —
SCHEMBL2715553 0.73 SYK (0.49) JAK3MAPK10JAK2JAK1TYK2
SCHEMBL2714357 0.72 SYK (0.54) JAK3MAPK10JAK2JAK1TYK2
SCHEMBL2716322 0.72 SYK (0.47) JAK3MAPK8MAPK10
SCHEMBL2713076 0.72 JAK3 (0.43) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL2714011 0.72 SYK (0.51) MAPK10JAK2JAK1
SCHEMBL2712360 0.72 SYK (0.45) JAK3MAPK8MAPK10JAK2JAK1

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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