SCHEMBL20119462

SCHEMBL20119462

Nc1nn2ccc(N3CCCC3)nc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 13/20 0.56
▸ PARP1 P09874 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL20119135 0.82 SMPD3 (0.56) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL21319482 0.78 SMPD3 (0.52) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL20119441 0.77 SMPD3 (0.51) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL20119340 0.77 SMPD3 (0.51) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL21319488 0.76 SMPD3 (0.50) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL18817179 0.76 SMPD3 (0.52) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL23865451 0.74 SMPD3 (0.48) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL20119429 0.73 SMPD3 (0.47) SMPD3PARP1PDE10AJAK2JAK3
SCHEMBL20119112 0.73 SMPD3 (0.47) SMPD3PARP1PDE10A
SCHEMBL20119425 0.72 PIK3CG (0.53) SMPD3

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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