SCHEMBL4042891

SCHEMBL4042891

COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(C(=O)NCCOCCOCCOCCNC(=O)CCCCC4SCC5NC(=O)NC54)c3)c1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY6K Q17RY6 1/20 0.53
PKM P14618 2/20 0.52
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
NOXO1 Q8NFA2 1/20 0.46
EGFR P00533 3/20 0.45
ITK Q08881 2/20 0.45
NSD2 O96028 1/20 0.44
NSD3 Q9BZ95 1/20 0.44
FOLH1 Q04609 1/20 0.43
GBA1 P04062 1/20 0.43
MAPK3 P27361 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL5819089 0.89 FLT1 (0.53) LY6KPKMFLT1FLT4KDR
SCHEMBL4039166 0.76 PDGFRB (0.53) FLT1FLT4KDR
SCHEMBL14253689 0.75 PKM (0.74) PKML3MBTL3F2PRSS1PRSS2
SCHEMBL20533126 0.75 FOLH1 (0.66) LY6KPKMFLT1FLT4KDR
SCHEMBL19326754 0.74 PKM (0.60) LY6KPKMFLT1FLT4KDR
SCHEMBL13528559 0.74 PKM (0.60) LY6KPKML3MBTL3F2PRSS1
SCHEMBL18736370 0.74 PKM (0.52) LY6KPKMF2PRSS1PRSS2
SCHEMBL19326743 0.74 FOLH1 (0.58) LY6KPKML3MBTL3F2PRSS1
SCHEMBL12319337 0.74 PKM (0.57) LY6KPKML3MBTL3F2PRSS1
SCHEMBL13528032 0.74 L3MBTL3 (0.56) LY6KPKML3MBTL3F2PRSS1

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed