SCHEMBL7094511

SCHEMBL7094511

Cc1cc(C(=O)NCCCN2CCCC2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(CCO)c4)c32)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.44
SMYD2 Q9NRG4 7/20 0.43
PIM1 P11309 2/20 0.42
KDR P35968 4/20 0.42
PDGFRB P09619 3/20 0.42
FGFR1 P11362 2/20 0.42
TLK2 Q86UE8 1/20 0.42
RAD52 P43351 2/20 0.38
ALK Q9UM73 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
KIT P10721 1/20 0.38
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL6324172 0.92 SMYD2 (0.47) CHEK1SMYD2PIM1KDRPDGFRB
SCHEMBL7095986 0.84 CHEK1 (0.50) CHEK1PIM1KDRPDGFRBFGFR1
SCHEMBL7004752 0.83 PDGFRB (0.53) CHEK1PIM1KDRPDGFRBFGFR1
SCHEMBL6324772 0.82 FLT1 (0.47) CHEK1KDRPDGFRBFGFR1TLK2
SCHEMBL6326926 0.81 PDGFRB (0.49) CHEK1PIM1KDRPDGFRBFGFR1
SCHEMBL6328657 0.79 PDGFRB (0.46) CHEK1SMYD2PIM1KDRPDGFRB
SCHEMBL6321260 0.77 ALK (0.39) KDRPDGFRBFGFR1ALKKMT2A
SCHEMBL143687 0.75 SRC (0.49) KDRPDGFRBFGFR1TLK2ALK
SCHEMBL143213 0.74 SRC (0.48) PIM1KDRPDGFRBFGFR1TLK2
SCHEMBL6321236 0.74 PDGFRB (0.51) CHEK1PIM1KDRPDGFRBFGFR1

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