SCHEMBL4013000

SCHEMBL4013000

CC(=O)c1ncnc2c1c(-c1cccc(Cl)c1Cl)cn2CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.39
MCL1 Q07820 2/20 0.36
P2RX7 Q99572 3/20 0.33
PTPN11 Q06124 1/20 0.33
KMO O15229 1/20 0.33
GRIN2B Q13224 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 1/20 0.32
DHODH Q02127 1/20 0.32
CFD P00746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL4014280 0.91 EGLN1 (0.34) CCR4MCL1P2RX7PTGDR2POLB
SCHEMBL4008416 0.86 CCR4 (0.39) CCR4MCL1P2RX7KMOPTGDR2
SCHEMBL4012559 0.83 CCR4 (0.40) CCR4MCL1P2RX7KMOPTGDR2
SCHEMBL13769676 0.78 MAPT (0.39) P2RX7
SCHEMBL4007615 0.77 SRC (0.43) CCR4MCL1P2RX7POLB
SCHEMBL4006629 0.76 MAPT (0.38) CCR4MCL1P2RX7POLBSMN1; SMN2
SCHEMBL4007097 0.76 ALOX15 (0.36) CCR4MCL1PTGDR2POLB
SCHEMBL4008754 0.75 FLT4 (0.44) CCR4MCL1POLB
SCHEMBL4006132 0.74 P2RX7 (0.43) P2RX7POLBRXRARXRBRXRG
SCHEMBL4009501 0.74 SCN9A (0.36) CCR4P2RX7

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