SCHEMBL6126705

SCHEMBL6126705

c1nc(-c2cnn([C]3CC(N4CCNCC4)C3)c2)c2cc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
JAK2 O60674 17/20 0.43
JAK1 P23458 11/20 0.43
HDAC6 Q9UBN7 3/20 0.43
DAPK3 O43293 2/20 0.43
PAK4 O96013 2/20 0.43
ABL1 P00519 2/20 0.43
RET P07949 2/20 0.43
LTK P29376 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CLK2 P49760 2/20 0.43
JAK3 P52333 2/20 0.43
TNK2 Q07912 2/20 0.43
ROCK1 Q13464 2/20 0.43
DYRK1A Q13627 2/20 0.43
IKBKE Q14164 2/20 0.43
NTRK3 Q16288 2/20 0.43
NTRK2 Q16620 2/20 0.43
LRRK2 Q5S007 2/20 0.43
TAOK1 Q7L7X3 2/20 0.43

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
SCHEMBL6127153 0.84 JAK1 (0.58) JAK2JAK1RETJAK3ROCK1
SCHEMBL6126707 0.82 JAK2 (0.45) HTR2CJAK2JAK1HDAC6DAPK3
SCHEMBL6127180 0.80 JAK2 (0.45) JAK2JAK1
SCHEMBL3377808 0.79 JAK2 (0.50) JAK2JAK1HDAC6DAPK3PAK4
SCHEMBL6126746 0.78 JAK2 (0.46) JAK2JAK1
SCHEMBL3376129 0.78 JAK2 (0.49) JAK2JAK1HDAC6DAPK3PAK4
SCHEMBL6127073 0.76 JAK2 (0.49) JAK2JAK1
SCHEMBL6127598 0.76 MERTK (0.53) JAK2JAK1
SCHEMBL6127205 0.76 MERTK (0.49) JAK2JAK1
SCHEMBL6127102 0.76 MERTK (0.54) JAK2JAK1

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-2640723-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2013-09-25 EP disclosed
WO-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed