SCHEMBL21279510

SCHEMBL21279510

Cc1nc2cc(C3CCCCN3C(=O)OC(C)(C)C)nn2c(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHA2 P29317 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2737893 1.00 TSHR (0.37) TSHRLMNANPSR1MAPTMEN1
SCHEMBL21279513 0.90 ALDH1A1 (0.41) TSHRLMNANPSR1MAPTMEN1
SCHEMBL2737903 0.90 ALDH1A1 (0.41) TSHRLMNANPSR1MAPTMEN1
SCHEMBL2737977 0.88 PDE8B (0.37) TSHRLMNANPSR1MAPTMEN1
SCHEMBL2737976 0.87 PDE8B (0.39) LMNANPSR1MAPTMEN1KMT2A
SCHEMBL2737986 0.87 ABCB1 (0.41) TSHRALDH1A1
SCHEMBL221557 0.87 TSHR (0.38) TSHRLMNANPSR1MAPTMEN1
SCHEMBL2737904 0.86 L3MBTL1 (0.37) LMNANPSR1MAPTALDH1A1L3MBTL1
SCHEMBL21279652 0.86 L3MBTL1 (0.37) LMNANPSR1MAPTALDH1A1L3MBTL1
SCHEMBL2737990 0.86 USP30 (0.35) LMNANPSR1MAPTALDH1A1KDM4E

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
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 — — WO disclosed
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 — — EP disclosed
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