SCHEMBL7493570

SCHEMBL7493570

Cc1cc(C)c(C=C2C(=O)Nc3ccc(NCC(O)CO)cc32)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.64
RET P07949 11/20 0.60
KDR P35968 5/20 0.60
PDPK1 O15530 2/20 0.60
PDGFRB P09619 4/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
FLT3 P36888 4/20 0.57
ALK Q9UM73 4/20 0.57
TLK2 Q86UE8 1/20 0.57
PAK4 O96013 1/20 0.56

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
SCHEMBL5376663 0.81 NTRK1 (0.43) NTRK1KDRPDPK1HDAC3HDAC4
SCHEMBL5369945 0.80 NTRK1 (0.43) NTRK1PDPK1TLK2PAK4MAPT
SCHEMBL5364426 0.80 RET (0.67) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL5360816 0.79 PDGFRB (0.62) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL5357876 0.78 HDAC3 (0.69) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL30997330 0.78 NTRK1 (1.00) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL29264970 0.78 NTRK1 (1.00) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL29264965 0.78 NTRK1 (1.00) NTRK1RETKDRPDPK1PDGFRB
SCHEMBL5367043 0.78 NTRK1 (0.66) NTRK1PDPK1TLK2JAK3
SCHEMBL5364424 0.77 KDR (0.72) NTRK1RETKDRPDPK1PDGFRB

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
EP-1247803-A2 Indolinone compounds suitable for modulation of protein kinases Sugen, Inc. (US) 2002-10-09 EP disclosed