SCHEMBL5369667

SCHEMBL5369667

Cc1cc(C)c(C=C2C(=O)Nc3ccc(NC(=O)CCC4CCCNC4)cc32)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.65
▸ HDAC4 P56524 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ HDAC7 Q8WUI4 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65
▸ HDAC8 Q9BY41 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ HDAC9 Q9UKV0 1/20 0.65
▸ HDAC5 Q9UQL6 1/20 0.65
▸ RET P07949 8/20 0.53
▸ TLK2 Q86UE8 2/20 0.52
▸ KDR P35968 5/20 0.50
▸ PDPK1 O15530 2/20 0.50
▸ NTRK1 P04629 2/20 0.50
▸ PDGFRB P09619 3/20 0.49
▸ FLT3 P36888 3/20 0.48
▸ ALK Q9UM73 3/20 0.48
▸ PDGFRA P16234 2/20 0.46

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
SCHEMBL5362266 0.85 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5357950 0.84 PAK1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5366320 0.83 FLT3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5373331 0.82 TLK2 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19725 0.80 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19726 0.80 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12473991 0.80 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21719 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21720 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8429168 0.78 PAK1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 — — US disclosed
EP-1247803-A2 Indolinone compounds suitable for modulation of protein kinases Sugen, Inc. (US) 2002-10-09 — — EP disclosed
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