SCHEMBL2483883

SCHEMBL2483883

COc1cc(N2CCCN(CC(C)O)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.45
NPM1 P06748 2/20 0.45
ALK Q9UM73 2/20 0.45
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 2/20 0.41
IGF1R P08069 2/20 0.41
HIF1A Q16665 2/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL520419 1.00 INSR (0.45) INSRNPM1ALKMAPTGAA
SCHEMBL519957 0.95 INSR (0.48) INSRNPM1ALKMAPTGAA
SCHEMBL519652 0.95 INSR (0.48) INSRNPM1ALKMAPTGAA
SCHEMBL519653 0.95 INSR (0.48) INSRNPM1ALKMAPTGAA
SCHEMBL520411 0.90 ADRA2A (0.49) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL2207628 0.86 GAA (0.47) INSRNPM1ALKMAPTGAA
SCHEMBL520934 0.84 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53
SCHEMBL14180538 0.84 TLR9 (0.48) ALKGAARAD52ALDH1A1
SCHEMBL520282 0.84 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53
SCHEMBL520281 0.84 ADRA2A (0.53) MAPTMEN1KMT2AATMTP53

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed