SCHEMBL845823

SCHEMBL845823

CCOS(=O)(=O)c1ccc(C)cc1-c1cnc(OCc2ccccc2)c(C#N)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 3/20 0.39
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK8 P45983 9/20 0.34
MAPK9 P45984 7/20 0.34
MAPK10 P53779 5/20 0.34
RPS27 P42677 4/20 0.34
PDE10A Q9Y233 1/20 0.33
CNR1 P21554 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SCN9A Q15858 1/20 0.32
ROCK2 O75116 1/20 0.32
CSF1R P07333 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK1D P48730 1/20 0.32
PRKD2 Q9BZL6 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
SCHEMBL846353 0.73 ALDH1A1 (0.38) SQORALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL28514735 0.71 MRGPRX4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19MAOB
SCHEMBL21226761 0.70 SQOR (0.46) SQORALDH1A1CNR1MAOBMAPK1
SCHEMBL845509 0.70 SQOR (0.46) SQORALDH1A1CNR1MAOBMAPK1
SCHEMBL9539690 0.69 NPC1 (0.43) ALDH1A1
SCHEMBL845322 0.68 SQOR (0.44) SQORALDH1A1CNR1MAOBCSF1R
SCHEMBL846233 0.67 SQOR (0.45) SQORALDH1A1CYP1A2CYP2C19PDE10A
SCHEMBL846782 0.67 SQOR (0.43) SQORRPS27MAOB
SCHEMBL23174837 0.66 KAT6A (0.38) ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL3759281 0.66 SQOR (0.38) SQORALDH1A1MAPK8MAPK9MAPK10

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