SCHEMBL9101101

SCHEMBL9101101

CC1CN(C(=O)O)C12CCCN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.76
JAK2 O60674 3/20 0.76
LCK P06239 3/20 0.76
JAK1 P23458 1/20 0.67
TYK2 P29597 1/20 0.67
STAT3 P40763 1/20 0.67

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
SCHEMBL20135286 0.94 JAK3 (0.75) JAK3JAK2LCKJAK1TYK2
SCHEMBL12909912 0.94 JAK3 (0.75) JAK3JAK2LCKJAK1TYK2
SCHEMBL19011863 0.92 JAK3 (0.76) JAK3JAK2LCKJAK1TYK2
SCHEMBL10205629 0.90 JAK3 (0.81) JAK3JAK2LCKJAK1TYK2
SCHEMBL19011896 0.88 JAK3 (0.78) JAK3JAK2LCKJAK1TYK2
SCHEMBL15854608 0.87 JAK3 (0.72) JAK3JAK2LCKJAK1TYK2
SCHEMBL1948756 0.86 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2
SCHEMBL12546704 0.86 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2
SCHEMBL18365714 0.86 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2
SCHEMBL12547004 0.86 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed
EP-3181570-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2017-06-21 EP disclosed
EP-2460806-B1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
EP-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed