SCHEMBL13345697

SCHEMBL13345697

COc1ncc2ccc(Br)n2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.32
DYRK1B Q9Y463 1/20 0.31
INSR P06213 1/20 0.31
PTK2 Q05397 1/20 0.31
ALK Q9UM73 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL522167 0.72
SCHEMBL18077275 0.72 HDAC1 (0.31)
SCHEMBL19221920 0.69 EGFR (0.42) JAK2INSRPTK2ALK
SCHEMBL24197738 0.69 JAK2 (0.32) JAK2INSRPTK2ALKALDH1A1
SCHEMBL25469001 0.69 PDE4B (0.35) JAK2
SCHEMBL24197995 0.66 PDE4B (0.35) JAK2INSRPTK2ALK
SCHEMBL322342 0.62
SCHEMBL1942840 0.61 GABRG2 (0.35) DYRK1BALDH1A1
SCHEMBL997839 0.58 FTO (0.50) DYRK1BINSRALDH1A1CYP1A2CLK4
SCHEMBL15973521 0.57 DYRK1A (0.51) DYRK1B

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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed