SCHEMBL29444441

SCHEMBL29444441

COCOc1cnc(C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ UHRF1 Q96T88 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL1054325 1.00 SLC6A2 (0.37) SLC6A2SLC6A4UHRF1MAPTALDH1A1
SCHEMBL25955725 0.81 UHRF1 (0.42) SLC6A2SLC6A4UHRF1MAPTSLC6A3
SCHEMBL15141866 0.80 AXL (0.42) SLC6A2SLC6A4UHRF1MAPTALDH1A1
SCHEMBL24046844 0.79 SLC6A2 (0.42) SLC6A2SLC6A4ALDH1A1TSHRKDM4E
SCHEMBL15980355 0.78 HTR2A (0.39) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL103648 0.75 PTPN1 (0.33) SLC6A2SLC6A4SLC6A3XDH
SCHEMBL1800081 0.74 EGFR (0.32) EGFRXDH
SCHEMBL26906152 0.74 HDAC3 (0.36) SLC6A2SLC6A4UHRF1
SCHEMBL15980810 0.73 L3MBTL1 (0.40) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL15978366 0.73 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057759-B Fused tetracyclic derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-05-16 — — CN disclosed
CN-114057759-A Condensed tetracyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-02-18 — — CN disclosed
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