SCHEMBL13769690

SCHEMBL13769690

N#Cc1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PIK3CD O00329 1/20 0.35
CFD P00746 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SRC P12931 2/20 0.33
KLKB1 P03952 1/20 0.33
DPP4 P27487 1/20 0.33
NOTUM Q6P988 1/20 0.33
LRRK2 Q5S007 1/20 0.33
BCL6 P41182 1/20 0.33
ADK P55263 1/20 0.33
MCL1 Q07820 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL4007615 0.85 SRC (0.43) EGLN1POLBMAPTSRCNOTUM
SCHEMBL4002268 0.85 CNR1 (0.36) PIK3CDCFDKLKB1BCL6
SCHEMBL4006132 0.82 P2RX7 (0.43) EGLN1POLBMAPTSRCADK
SCHEMBL4014280 0.81 EGLN1 (0.34) PTGDR2EGLN1POLBMAPTSRC
SCHEMBL4007097 0.81 ALOX15 (0.36) PTGDR2EGLN1POLBMAPTSRC
SCHEMBL4008754 0.80 FLT4 (0.44) EGLN1POLBMAPTSRCADK
SCHEMBL4005788 0.79 MAPT (0.43) MAPTADK
SCHEMBL4006053 0.78 LMNA (0.47) POLBMAPTLRRK2
SCHEMBL4013415 0.77 LMNA (0.39) POLBMAPTLRRK2
SCHEMBL4010459 0.77 MAPT (0.41) POLBMAPTLRRK2

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