SCHEMBL4461041

SCHEMBL4461041

CN1CCN(C2=CC(N)=NC(N)(Cc3cc(-c4ccoc4)no3)N2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
HRH4 Q9H3N8 2/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 4/20 0.34
KMT2A Q03164 3/20 0.34
WDR5 P61964 1/20 0.34
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL4469489 0.81 IGF1R (0.38) IGF1R
SCHEMBL4460700 0.81 IGF1R (0.36) IGF1R
SCHEMBL4462384 0.79 IGF1R (0.40) IGF1R
SCHEMBL4466081 0.76 DRD2 (0.41) IGF1RCYP1A2ALDH1A1HSD17B10DRD2
SCHEMBL4558703 0.70 IGF1R (0.59) IGF1R
SCHEMBL4459340 0.65 PTPN1 (0.43) IGF1RDRD2
SCHEMBL4459206 0.64 PTPN1 (0.44) IGF1RDRD2
SCHEMBL4458966 0.64 IGF1R (0.44) IGF1R
SCHEMBL1793166 0.63 IGF1R (0.66) IGF1R
SCHEMBL4466158 0.61 VHL (0.34) ALDH1A1KMT2AMEN1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed