SCHEMBL7095986

SCHEMBL7095986

Cc1cc(C(=O)NCCN2CCCC2)c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.50
PDGFRB P09619 3/20 0.48
KDR P35968 3/20 0.48
FGFR1 P11362 2/20 0.48
TLK2 Q86UE8 1/20 0.48
PIM1 P11309 5/20 0.47
FLT3 P36888 2/20 0.43
AURKB Q96GD4 2/20 0.43
MET P08581 1/20 0.43
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
PIM2 Q9P1W9 4/20 0.41
ALK Q9UM73 1/20 0.40
AURKA O14965 1/20 0.40
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDPK1 O15530 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL7004752 0.91 PDGFRB (0.53) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL6324172 0.88 SMYD2 (0.47) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL6326926 0.88 PDGFRB (0.49) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL7094200 0.86 ALK (0.39) CHEK1PDGFRBKDRFGFR1FLT3
SCHEMBL2116627 0.85 KDR (0.61) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL31672554 0.85 KDR (0.61) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL13755246 0.85 KDR (0.61) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL7094511 0.84 CHEK1 (0.44) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL6884531 0.81 PDGFRB (0.63) CHEK1PDGFRBKDRFGFR1TLK2
SCHEMBL6884535 0.81 PDGFRB (0.63) CHEK1PDGFRBKDRFGFR1TLK2

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