SCHEMBL4007097

SCHEMBL4007097

CCc1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ABL1 P00519 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CCR4 P51679 1/20 0.34
SRC P12931 2/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CREBBP Q92793 1/20 0.33
NOTUM Q6P988 1/20 0.33
MCL1 Q07820 2/20 0.33
ADK P55263 1/20 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
SCHEMBL13769525 0.87 MAPT (0.40) MAPTSRCCNR1CNR2KDM4E
SCHEMBL4007615 0.86 SRC (0.43) EGLN1MAPTPOLBCCR4SRC
SCHEMBL4014280 0.84 EGLN1 (0.34) EGLN1MAPTPOLBCCR4SRC
SCHEMBL4008754 0.83 FLT4 (0.44) ABL1EGLN1MAPTPOLBCCR4
SCHEMBL4006132 0.83 P2RX7 (0.43) EGLN1MAPTPOLBSRCKDM4E
SCHEMBL13769690 0.81 STAT3 (0.38) EGLN1MAPTPOLBSRCPTGDR2
SCHEMBL4006629 0.80 MAPT (0.38) MAPTPOLBCCR4SRCCNR1
SCHEMBL4005788 0.80 MAPT (0.43) MAPTKDM4EALDH1A1ADK
SCHEMBL4006053 0.79 LMNA (0.47) MAPTPOLBCNR1CNR2KDM4E
SCHEMBL4013415 0.78 LMNA (0.39) MAPTPOLBCNR1CNR2KDM4E

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