SCHEMBL2712825

SCHEMBL2712825

CCC(=O)N1CCC(c2ccc(Nc3cc(N(c4ccccc4)C4CC4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.59
▸ LCK P06239 4/20 0.46
▸ BTK Q06187 3/20 0.46
▸ STAT6 P42226 1/20 0.44
▸ EGFR P00533 3/20 0.44
▸ SYK P43405 3/20 0.43
▸ JAK2 O60674 4/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ PTK2 Q05397 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
SCHEMBL2715004 0.90 JAK3 (0.61) JAK3LCKBTKSTAT6EGFR
SCHEMBL2712299 0.89 SYK (0.55) JAK3SYKJAK2JAK1TYK2
SCHEMBL2732207 0.87 JAK3 (0.59) JAK3LCKBTKSTAT6EGFR
SCHEMBL2697776 0.84 JAK3 (0.61) JAK3LCKBTKSTAT6EGFR
SCHEMBL2695027 0.84 JAK3 (0.62) JAK3LCKBTKSTAT6EGFR
SCHEMBL2695669 0.84 JAK3 (0.56) JAK3LCKBTKSTAT6EGFR
SCHEMBL2714179 0.83 JAK3 (0.57) JAK3LCKBTKSTAT6EGFR
SCHEMBL2695477 0.83 JAK3 (0.79) JAK3LCKBTKSTAT6EGFR
SCHEMBL2693638 0.83 JAK3 (0.58) JAK3LCKBTKSTAT6EGFR
SCHEMBL2693964 0.83 JAK3 (0.56) JAK3LCKBTKSTAT6EGFR

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