SCHEMBL901891

SCHEMBL901891

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.73
PHGDH O43175 4/20 0.53
SYK P43405 12/20 0.49
RAB9A P51151 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1704409 0.89 KARS1 (0.73) KARS1SYK
SCHEMBL902237 0.88 KARS1 (0.67) KARS1PHGDHSYKRAB9ACACNA1B
SCHEMBL901727 0.85 KARS1 (1.00) KARS1PHGDHSYK
SCHEMBL901953 0.84 KARS1 (0.56) KARS1SYK
SCHEMBL901876 0.83 KARS1 (0.71) KARS1KMT2A
SCHEMBL902090 0.81 KARS1 (0.55) KARS1SYK
SCHEMBL1704909 0.77 KARS1 (0.67) KARS1SYK
SCHEMBL1704829 0.77 KARS1 (0.43) KARS1RAB9ALMNA
SCHEMBL901783 0.76 KARS1 (0.56) KARS1SYK
SCHEMBL1704662 0.74 KARS1 (0.72) KARS1SYKRAB9AKMT2ALMNA

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