SCHEMBL2732207

SCHEMBL2732207

CCC(=O)N1CCC(c2ccc(Nc3cc(N(CC)C4CC4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.59
▸ LCK P06239 9/20 0.48
▸ BTK Q06187 7/20 0.48
▸ EGFR P00533 7/20 0.46
▸ SYK P43405 4/20 0.46
▸ STAT6 P42226 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.39
▸ TTK P33981 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
SCHEMBL2714179 0.96 JAK3 (0.57) JAK3LCKBTKEGFRSYK
SCHEMBL2712825 0.87 JAK3 (0.59) JAK3LCKBTKEGFRSYK
SCHEMBL2715004 0.87 JAK3 (0.61) JAK3LCKBTKEGFRSYK
SCHEMBL2693964 0.86 JAK3 (0.56) JAK3LCKBTKEGFRSYK
SCHEMBL2697776 0.86 JAK3 (0.61) JAK3LCKBTKEGFRSYK
SCHEMBL2694969 0.85 JAK3 (0.55) JAK3LCKBTKEGFRSYK
SCHEMBL2696029 0.84 JAK3 (0.56) JAK3LCKBTKEGFRSYK
SCHEMBL2695407 0.83 JAK3 (0.55) JAK3LCKBTKEGFRSYK
SCHEMBL2693539 0.83 JAK3 (0.58) JAK3LCKBTKEGFRSYK
SCHEMBL2693638 0.83 JAK3 (0.58) JAK3LCKBTKEGFRSYK

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
Send feedback