SCHEMBL845322

SCHEMBL845322

[CH2]Cc1cnc(OCc2ccccc2)c(C#N)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.44
MAOB P27338 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SGMS2 Q8NHU3 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
HPGD P15428 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL846782 0.85 SQOR (0.43) SQORMAOB
SCHEMBL846233 0.85 SQOR (0.45) SQORMAOBNPC1RAB9AL3MBTL1
SCHEMBL845509 0.85 SQOR (0.46) SQORMAOBNPC1RAB9AL3MBTL1
SCHEMBL21226761 0.82 SQOR (0.46) SQORMAOBNPC1RAB9AL3MBTL1
SCHEMBL3759281 0.79 SQOR (0.38) SQORMAOBL3MBTL1ALDH1A1MAPT
SCHEMBL846353 0.75 ALDH1A1 (0.38) SQORALDH1A1MEN1MAPTKMT2A
SCHEMBL16333091 0.73 APP (0.46) MAOBNPC1RAB9AL3MBTL1CNR1
SCHEMBL16098128 0.72 RAB9A (0.55) SQORMAOBNPC1RAB9AL3MBTL1
SCHEMBL18084411 0.69 SQOR (0.51) SQORMAOBNPC1RAB9AL3MBTL1
SCHEMBL16402667 0.68 SQOR (0.47) SQORMAOBNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432555-B1 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 CORP (US) 2014-04-30 EP disclosed
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