SCHEMBL7498784

SCHEMBL7498784

Cc1csc(-c2cn(C(=O)OC(C)(C)C)c3cc(-c4ccc(F)cc4)ccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.36
HDAC1 Q13547 4/20 0.36
CHEK1 O14757 1/20 0.35
GRIN2B Q13224 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.33
MARK3 P27448 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CAMK2B Q13554 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HTR6 P50406 1/20 0.33
GRM2 Q14416 2/20 0.33
HDAC3 O15379 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
SCHEMBL7498775 0.78 PTGS2 (0.38) HDAC2HDAC1L3MBTL1PIM1MARK3
SCHEMBL124286 0.77 HDAC2 (0.41) HDAC2HDAC1GRIN2BL3MBTL1HTR6
SCHEMBL7498108 0.75 RXFP1 (0.40) HDAC2HDAC1
SCHEMBL121793 0.75 PTGS1 (0.41) HDAC2HDAC1L3MBTL1PIM1MARK3
SCHEMBL7845141 0.75 HDAC2 (0.39) HDAC2HDAC1GRIN2BL3MBTL1HTR6
SCHEMBL31147905 0.75 KMT2A (0.49) HDAC2HDAC1
SCHEMBL23330731 0.74 IDO1 (0.36) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL29831500 0.74 IDO1 (0.36) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL145542 0.73 PTGS1 (0.45) GRM2
SCHEMBL5871186 0.72 L3MBTL1 (0.51) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed