SCHEMBL845889

SCHEMBL845889

O/N=C/c1ccnc(Cl)c1Cl.O=Cc1ccnc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL845890 1.00 CCR1 (0.39) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL845896 0.93 HPGD (0.37) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL845897 0.93 HPGD (0.37) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL30529332 0.85 CCR1 (0.50) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL748190 0.85 CCR1 (0.50) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL12480745 0.75 L3MBTL1 (0.38) L3MBTL1KDM4EHPGDKMT2ATSHR
SCHEMBL12480748 0.75 L3MBTL1 (0.38) L3MBTL1KDM4EHPGDKMT2ATSHR
SCHEMBL19139612 0.72 CCR1 (0.45) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL29950826 0.72 CCR1 (0.45) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL845703 0.71 CCR1 (0.38) CCR1CCR5CCR8TRIM24TRIM33

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed