SCHEMBL2715004

SCHEMBL2715004

CCC(=O)N1CCC(c2ccc(Nc3cc(N(CC)c4ccccc4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.61
▸ STAT6 P42226 1/20 0.46
▸ LCK P06239 4/20 0.45
▸ BTK Q06187 3/20 0.45
▸ EGFR P00533 3/20 0.45
▸ SYK P43405 3/20 0.44
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.41
▸ NAMPT P43490 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL2712825 0.90 JAK3 (0.59) JAK3STAT6LCKBTKEGFR
SCHEMBL2732207 0.87 JAK3 (0.59) JAK3STAT6LCKBTKEGFR
SCHEMBL2697776 0.85 JAK3 (0.61) JAK3STAT6LCKBTKEGFR
SCHEMBL2695669 0.85 JAK3 (0.56) JAK3STAT6LCKBTKEGFR
SCHEMBL2695027 0.85 JAK3 (0.62) JAK3STAT6LCKBTKEGFR
SCHEMBL2714179 0.85 JAK3 (0.57) JAK3STAT6LCKBTKEGFR
SCHEMBL2695477 0.85 JAK3 (0.79) JAK3STAT6LCKBTKEGFR
SCHEMBL2693638 0.84 JAK3 (0.58) JAK3STAT6LCKBTKEGFR
SCHEMBL2693964 0.84 JAK3 (0.56) JAK3STAT6LCKBTKEGFR
SCHEMBL2715007 0.83 JAK3 (0.71) JAK3STAT6LCKBTKEGFR

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 4 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 claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
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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