Sugi Predict

Sugi Predict / Compounds / SCHEMBL2525216

SCHEMBL2525216

SCHEMBL2525216

CC(C)(C)c1c(-c2ccc3cnc(O)nn23)cccc1S(N)(=O)=O.CN1CCc2cc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.59
▸ PTK2 Q05397 3/20 0.52
▸ ALK Q9UM73 7/20 0.43
▸ INSR P06213 5/20 0.43
▸ BRD4 O60885 4/20 0.39
▸ BUB1B O60566 1/20 0.38
▸ RET P07949 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ WEE1 P30291 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL2525215 0.91 JAK2 (0.70) JAK2PTK2ALKINSRBRD4
SCHEMBL2510028 0.89 JAK2 (0.71) JAK2PTK2ALKINSRBRD4
SCHEMBL521050 0.87 JAK2 (0.76) JAK2PTK2ALKINSRBRD4
SCHEMBL520210 0.85 JAK2 (0.77) JAK2PTK2ALKINSRBRD4
SCHEMBL522007 0.82 JAK2 (0.78) JAK2PTK2ALKINSRBRD4
SCHEMBL2551619 0.81 JAK2 (0.58) JAK2PTK2ALKINSRCYP3A4
SCHEMBL520052 0.78 JAK2 (0.72) JAK2PTK2ALKINSRBRD4
SCHEMBL519462 0.75 JAK2 (1.00) JAK2PTK2ALKINSRBRD4
SCHEMBL16530460 0.75 JAK2 (0.72) JAK2PTK2ALKINSRBRD4
SCHEMBL521805 0.75 JAK2 (0.74) JAK2PTK2ALKINSRBRD4

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed