SCHEMBL4007615

SCHEMBL4007615

O=C(O)Cn1cc(-c2ccccc2Cl)c2c(Cl)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.43
MEN1 O00255 1/20 0.40
NR2F2 P24468 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 2/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
P2RX7 Q99572 3/20 0.36
NOTUM Q6P988 1/20 0.36
MCL1 Q07820 1/20 0.35
ADK P55263 1/20 0.35
PTGS2 P35354 1/20 0.35
CCR4 P51679 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4008416 0.90 CCR4 (0.39) SRCMEN1NR2F2KMT2AP2RX7
SCHEMBL4006132 0.87 P2RX7 (0.43) SRCEGLN1POLBMAPTP2RX7
SCHEMBL4007097 0.86 ALOX15 (0.36) SRCEGLN1POLBMAPTNOTUM
SCHEMBL4014280 0.86 EGLN1 (0.34) SRCMEN1NR2F2KMT2AEGLN1
SCHEMBL4008754 0.85 FLT4 (0.44) SRCEGLN1POLBMAPTMCL1
SCHEMBL13769690 0.85 STAT3 (0.38) SRCEGLN1POLBMAPTNOTUM
SCHEMBL4005788 0.84 MAPT (0.43) MAPTADK
SCHEMBL13769532 0.84 PDE4B (0.41) SRCMEN1NR2F2KMT2AMAPT
SCHEMBL4006053 0.83 LMNA (0.47) MEN1KMT2APOLBMAPT
SCHEMBL4013415 0.81 LMNA (0.39) MEN1KMT2APOLBMAPT

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