SCHEMBL20119347

SCHEMBL20119347

Cn1cc(-c2c(NC(=O)OC(C)(C)C)nn3ccc(N4CCCC4)nc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ IRAK4 Q9NWZ3 12/20 0.41
▸ RET P07949 4/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CREBBP Q92793 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
SCHEMBL20119346 0.80 NTRK1 (0.62) —
SCHEMBL20119921 0.80 IRAK4 (0.39) IRAK4
SCHEMBL20119425 0.76 PIK3CG (0.53) IRAK4PIK3CAPIK3CG
SCHEMBL23607512 0.67 DYRK1A (0.49) GSK3BDYRK1AIRAK4RET
SCHEMBL23580652 0.66 GSK3B (0.46) GSK3BDYRK1ARET
SCHEMBL30340810 0.66 GSK3B (0.46) GSK3BDYRK1ARET
SCHEMBL23580326 0.66 GSK3B (0.48) GSK3BDYRK1ARETPIK3CG
SCHEMBL14050908 0.66 TYK2 (0.39) GSK3BDYRK1A
SCHEMBL15182839 0.64 GSK3B (0.51) GSK3BDYRK1A
SCHEMBL30753644 0.64 DYRK1A (0.53) GSK3BDYRK1AIRAK4RET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533796-B1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-09-29 — — EP disclosed
EP-3533796-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-09-04 — — EP disclosed
WO-2018077246-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR 正大天晴药业集团股份有限公司 2018-05-03 — — WO disclosed
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