SCHEMBL1705310

SCHEMBL1705310

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cccc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.48
GPR119 Q8TDV5 5/20 0.46
SYK P43405 1/20 0.45
JAK2 O60674 5/20 0.44
JAK3 P52333 5/20 0.44
PTK2 Q05397 5/20 0.44
WNT3A P56704 1/20 0.43
IGF1R P08069 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CCNT1 O60563 1/20 0.42
HPGDS O60760 1/20 0.42
KDM1A O60341 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL902272 0.88 SYK (0.53) KARS1SYKWNT3A
SCHEMBL901665 0.87 KARS1 (0.53) KARS1
SCHEMBL902839 0.86 SYK (0.60) KARS1SYKJAK2JAK3PTK2
SCHEMBL902983 0.84 KARS1 (0.64) KARS1GPR119SYKJAK2JAK3
SCHEMBL1705277 0.83 JAK2 (0.44) GPR119SYKJAK2JAK3PTK2
SCHEMBL1704340 0.82 KARS1 (0.64) KARS1GPR119
SCHEMBL1705279 0.81 GRM1 (0.47) KARS1WNT3A
SCHEMBL901734 0.79 HTT (0.46) GPR119JAK2JAK3PTK2HPGDS
SCHEMBL902750 0.77 KARS1 (0.64) KARS1
SCHEMBL901929 0.75 KARS1 (0.55) KARS1SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed