SCHEMBL845908

SCHEMBL845908

CCOC=Cc1ccnc(Cl)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 9/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SQOR Q9Y6N5 1/20 0.31
KCNMA1 Q12791 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
SCHEMBL846768 0.81 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL846767 0.81 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL20602580 0.80 NFE2L2 (0.45) L3MBTL1KMT2ACYP2C19
SCHEMBL31062424 0.77 NOTUM (0.32)
SCHEMBL22290058 0.75 ALDH1A1 (0.43) BCL6ALDH1A1HPGDKDM4EMAPK1
SCHEMBL3432979 0.74 MAPK1 (0.42) BCL6ALDH1A1HPGDKDM4EMAPK1
SCHEMBL6101681 0.71 LMNA (0.46) BCL6ALDH1A1HPGDKDM4EMAPK1
SCHEMBL15942322 0.71 HPGD (0.33) HPGDLMNA
SCHEMBL31306210 0.71 KDM4E (0.30) ALDH1A1KDM4EMAPTTDP1
SCHEMBL2548859 0.70 KCNH2 (0.43) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19

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