SCHEMBL14905924

SCHEMBL14905924

COC(=O)[C@H](CCCCNCCN(C(=O)OCc1ccccc1)[C@@H](CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OC(C)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.50
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ACHE P22303 2/20 0.39
DOT1L Q8TEK3 3/20 0.39
P2RY12 Q9H244 3/20 0.37
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
WDR5 P61964 1/20 0.34
KMT2A Q03164 1/20 0.34
RBBP5 Q15291 1/20 0.34
DPY30 Q9C005 1/20 0.34

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
SCHEMBL14905928 0.95 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17921731 0.86 PRMT6 (0.58) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905929 0.86 PRMT6 (0.58) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905992 0.85 PRMT6 (0.52) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156829 0.83 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16154108 0.83 PRMT6 (0.57) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156840 0.81 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905966 0.81 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905960 0.78 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156879 0.78 PRMT6 (0.51) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1

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-2771343-B1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER SLOAN KETTERING INST CANCER (US) 2016-07-13 EP disclosed
WO-2013063417-A1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2013-05-02 WO disclosed