SCHEMBL12840918

SCHEMBL12840918

C=CC(=O)N1CCC(N(C)c2ccc(N)c(OC)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.42
JAK3 P52333 4/20 0.41
FGFR1 P11362 4/20 0.41
FGFR2 P21802 3/20 0.39
FGFR3 P22607 3/20 0.39
FGFR4 P22455 2/20 0.39
BTK Q06187 11/20 0.39
TET3 O43151 1/20 0.38
KMT2A Q03164 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
TET1 Q8NFU7 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
TEC P42680 5/20 0.38
TXK P42681 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL12840898 0.81 EGFR (0.49) EGFRJAK3FGFR1FGFR2FGFR3
SCHEMBL12840891 0.80 EGFR (0.45) EGFRFGFR1
SCHEMBL2826258 0.80 NSD2 (0.42) FGFR1CYP3A4
SCHEMBL12840913 0.75 JAK3 (0.48) EGFRJAK3
SCHEMBL28787353 0.75 HTR4 (0.46) KMT2A
SCHEMBL15650533 0.71 L3MBTL3 (0.63) CYP2C19
SCHEMBL6155353 0.70 PARP15 (0.43) KMT2AKDM2BCYP3A4CYP2C19
SCHEMBL16391119 0.70 PGR (0.41) KDM2BCYP3A4
SCHEMBL21338059 0.70 PGR (0.41) KDM2BCYP3A4
SCHEMBL2169887 0.70 NSD2 (0.42) FGFR1KMT2ACYP3A4

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
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed