SCHEMBL3671495

SCHEMBL3671495

Cc1nc(Cl)ccc1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 10/20 0.43
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 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
SCHEMBL31644177 0.83 MEN1 (0.41) TKTMEN1KMT2ACHRNB2CHRNA4
SCHEMBL3509762 0.83 MEN1 (0.41) TKTMEN1KMT2ACHRNB2CHRNA4
SCHEMBL10282395 0.82 ALDH1A1 (0.35) TKTCHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL845810 0.79 TKT (0.39) TKTKDM4EALDH1A1PDCD1LG2CD274
SCHEMBL30492965 0.79 TKT (0.39) TKTKDM4EALDH1A1PDCD1LG2CD274
SCHEMBL11039336 0.78 TKT (0.35) TKTMEN1KMT2A
SCHEMBL403867 0.77 KMT2A (0.39) TKTKMT2ACHRNB2CHRNA4KDM4E
SCHEMBL29421763 0.77 KMT2A (0.39) TKTKMT2ACHRNB2CHRNA4KDM4E
SCHEMBL9269242 0.77 CTRC (0.38) TKTKMT2ACHRNB2CHRNA4TUBB4A
SCHEMBL25679594 0.77 CD274 (0.49) KMT2APDCD1LG2CD274

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-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed