SCHEMBL7094064

SCHEMBL7094064

Cc1cc(C(=O)NCCn2ccnn2)c(C=C2C(=O)Nc3cccc(-c4ccc(OC(F)(F)F)cc4)c32)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.43
RET P07949 1/20 0.41
ALK Q9UM73 3/20 0.39
ABL1 P00519 9/20 0.39
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
FGFR1 P11362 1/20 0.37
EGFR P00533 1/20 0.36
PDGFRA P16234 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL7010602 0.90 KDR (0.43) RETALKABL1PDGFRBKDR
SCHEMBL7094200 0.89 ALK (0.39) RETALKABL1PDGFRBKDR
SCHEMBL6322112 0.81 RET (0.52) RETALKABL1PDGFRBKDR
SCHEMBL6322108 0.81 RET (0.52) RETALKABL1PDGFRBKDR
SCHEMBL7006025 0.80 LRRK2 (0.52) RETALKABL1PDGFRBKDR
SCHEMBL7004752 0.78 PDGFRB (0.53) PDGFRBKDRFGFR1CHEK1
SCHEMBL7095986 0.75 CHEK1 (0.50) ALKPDGFRBKDRFGFR1CHEK1
SCHEMBL7097437 0.73 KDR (0.70) RETALKABL1PDGFRBKDR
SCHEMBL6324172 0.73 SMYD2 (0.47) ALKPDGFRBKDRFGFR1CHEK1
SCHEMBL6326926 0.72 PDGFRB (0.49) PDGFRBKDRFGFR1EGFRPDGFRA

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
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed