SCHEMBL13769754

SCHEMBL13769754

CCOC(=O)Cn1cc(Br)c2cncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.41
TNF P01375 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
XDH P47989 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 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
SCHEMBL30254688 0.88 LMNA (0.47) TNFALDH1A1MAPTXDHKMT2A
SCHEMBL13769678 0.85 MITF (0.41) MITFALDH1A1MAPTRAB9AHSD17B10
SCHEMBL12480375 0.84 KDM4E (0.37) ALDH1A1JAK2JAK1JAK3KDM4E
SCHEMBL13769669 0.77 MKNK2 (0.42) ALDH1A1MAPTRAB9AHSD17B10KMT2A
SCHEMBL31208191 0.77 ALDH1A1 (0.49) MITFTNFALDH1A1MAPTRAB9A
SCHEMBL13769524 0.76 MITF (0.41) MITFTNFALDH1A1MAPTHSD17B10
SCHEMBL13769757 0.76 MITF (0.41) MITFALDH1A1MAPTRAB9AHSD17B10
SCHEMBL13769935 0.75 HSD17B10 (0.44) MITFTNFALDH1A1MAPTRAB9A
SCHEMBL28313408 0.75 FDPS (0.49) MITFTNFALDH1A1MAPTRAB9A
SCHEMBL13769541 0.72 MEN1 (0.39) ALDH1A1MAPTHSD17B10KMT2AMEN1

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-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed