SCHEMBL28313914

SCHEMBL28313914

Cc1ccncc1NC(=O)OBr

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GSK3A P49840 3/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATR Q13535 2/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 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
SCHEMBL692100 0.86 HPGD (0.49) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL28308599 0.83 ATR (0.45) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL555073 0.81 NAMPT (0.48) GSK3BMAPTSIRT3TDP1ATR
SCHEMBL2033252 0.80 KDM4C (0.50) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL30600744 0.80 KDM4C (0.50) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL1637363 0.79 ALDH1A1 (0.55) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL30418934 0.79 ALDH1A1 (0.55) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL896640 0.78 KMT2A (0.51) MAPTGSK3ATDP1MEN1LMNA
SCHEMBL25046269 0.77 MAPT (0.46) GSK3BMAPTGSK3ASIRT3TDP1
SCHEMBL27684513 0.77 SIRT3 (0.55) GSK3BMAPTGSK3ASIRT3TDP1

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
CN-106661018-B Pyrrolo- [2,3-C] pyridine as neurofibrillary tangles imaging agent 默沙东公司 2019-07-19 — — CN disclosed
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