SCHEMBL845703

SCHEMBL845703

FC(F)c1ccnc(Cl)c1Cl.O=Cc1ccnc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL845386 0.86 AAK1 (0.31)
SCHEMBL30529332 0.84 CCR1 (0.50) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL748190 0.84 CCR1 (0.50) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL30296292 0.77 CCR1 (0.41) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL845889 0.71 CCR1 (0.39) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL845890 0.71 CCR1 (0.39) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL2894661 0.71 CCR1 (0.45) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL1637824 0.69 CCR1 (0.47) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL30236447 0.69 AAK1 (0.38)
SCHEMBL29953562 0.69 CCR1 (0.47) 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