SCHEMBL21319519

SCHEMBL21319519

NC(=O)c1c(N)nn2ccc(N3CCC(O)C3)nc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 10/20 0.52
▸ PRKDC P78527 1/20 0.42
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ IKBKB O14920 2/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.39
▸ ATR Q13535 1/20 0.38
▸ TYK2 P29597 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
SCHEMBL20119411 0.88 SMPD3 (0.43) SMPD3IRAK4ATR
SCHEMBL21319573 0.88 SMPD3 (0.52) SMPD3PRKDCJAK2JAK3IRAK4
SCHEMBL21319570 0.87 SMPD3 (0.42) SMPD3JAK2JAK3IRAK4
SCHEMBL20119441 0.84 SMPD3 (0.51) SMPD3JAK2JAK3IRAK4
SCHEMBL20119489 0.83 SMPD3 (0.54) SMPD3PRKDCJAK2JAK3IRAK4
SCHEMBL21319568 0.81 SMPD3 (0.50) SMPD3JAK2JAK3IRAK4
SCHEMBL23865295 0.80 SMPD3 (0.51) SMPD3PRKDCJAK2JAK3IRAK4
SCHEMBL20119122 0.80 SMPD3 (0.51) SMPD3PRKDCJAK2JAK3IRAK4
SCHEMBL20119364 0.79 SMPD3 (0.43) SMPD3IRAK4ATR
SCHEMBL20119515 0.76 MAPT (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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