SCHEMBL3345809

SCHEMBL3345809

COc1ccc(N2CC3CN(CC=O)CC(C2)O3)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3345793 0.91 GAK (0.38) ALDH1A1HTTGAACYP3A4SMN1; SMN2
SCHEMBL3352155 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHTTTUBB4ATUBB
SCHEMBL3314122 0.79 L3MBTL1 (0.40) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL15651237 0.78 IGF1R (0.41) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL13362043 0.74 ALK (0.38) ALDH1A1CYP3A4DPP4IGF1RKCNH2
SCHEMBL3313268 0.73 IGF1R (0.47) ALDH1A1GAACYP3A4DPP4IGF1R
SCHEMBL13362091 0.72 KCNH2 (0.39) L3MBTL1CYP3A4MEN1KMT2AIGF1R
SCHEMBL13362030 0.71 IGF1R (0.42) ALDH1A1GAACYP3A4DPP4IGF1R
SCHEMBL13362108 0.71 GAK (0.42) ALDH1A1HTTGAACYP3A4DPP4
SCHEMBL30900296 0.71 ALDH1A1 (0.41) ALDH1A1LMNAHTTL3MBTL1TUBB4A

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed