SCHEMBL902237

SCHEMBL902237

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(Nc4cc(C(F)(F)F)ccn4)n3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.67
SYK P43405 10/20 0.58
PHGDH O43175 4/20 0.49
ADORA2A P29274 1/20 0.46
PDE4D Q08499 1/20 0.44
RAB9A P51151 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL1704909 0.90 KARS1 (0.67) KARS1SYK
SCHEMBL901891 0.88 KARS1 (0.73) KARS1SYKPHGDHRAB9ACACNA1B
SCHEMBL902983 0.85 KARS1 (0.64) KARS1SYKADORA2APDE4DJAK2
SCHEMBL902839 0.85 SYK (0.60) KARS1SYKJAK2JAK3
SCHEMBL1704583 0.80 ADORA2A (0.48) KARS1ADORA2APDE4DJAK2JAK3
SCHEMBL901727 0.80 KARS1 (1.00) KARS1SYKPHGDH
SCHEMBL901697 0.79 KARS1 (0.65) KARS1SYK
SCHEMBL20516341 0.78 ADORA2A (0.53) ADORA2APDE4DJAK2JAK3
SCHEMBL30791110 0.78 ADORA2A (0.53) ADORA2APDE4DJAK2JAK3
SCHEMBL1704409 0.77 KARS1 (0.73) 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 2 patents. 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed