SCHEMBL14999953

SCHEMBL14999953

NC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.76
JAK3 P52333 8/20 0.76
TYK2 P29597 5/20 0.76
JAK1 P23458 15/20 0.75
AURKA O14965 1/20 0.63
PRKCA P17252 1/20 0.63
KDR P35968 1/20 0.63

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
SCHEMBL2292143 0.91 JAK2 (0.75) JAK2JAK3TYK2JAK1
SCHEMBL2291263 0.88 JAK1 (0.69) JAK2JAK3TYK2JAK1
SCHEMBL14605165 0.88 JAK1 (0.69) JAK2JAK3TYK2JAK1
SCHEMBL21490735 0.86 JAK3 (1.00) JAK2JAK3TYK2JAK1
SCHEMBL21490737 0.86 JAK3 (1.00) JAK2JAK3TYK2JAK1
SCHEMBL14999954 0.86 JAK1 (0.80) JAK2JAK3TYK2JAK1AURKA
SCHEMBL2226290 0.86 JAK1 (1.00) JAK2JAK3TYK2JAK1AURKA
SCHEMBL2294629 0.86 JAK2 (0.68) JAK2JAK3TYK2JAK1
SCHEMBL2295474 0.84 JAK2 (0.70) JAK2JAK3TYK2JAK1
SCHEMBL14605266 0.84 TYK2 (0.68) JAK2JAK3TYK2JAK1

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed