SCHEMBL14905927

SCHEMBL14905927

COC(=O)[C@H](CC[C@H](CN)C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OC(C)=O)C1OC(C)=O)N=COC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.63
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
P2RY12 Q9H244 9/20 0.38
ACHE P22303 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
CARM1 Q86X55 1/20 0.36

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
SCHEMBL16156797 1.00 PRMT6 (0.63) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156877 0.93 PRMT6 (0.61) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905983 0.93 PRMT6 (0.61) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156838 0.93 PRMT6 (0.61) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17921714 0.93 PRMT6 (0.61) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905987 0.91 PRMT6 (0.57) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156874 0.90 PRMT6 (0.57) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17921761 0.90 PRMT6 (0.57) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905985 0.88 PRMT6 (0.54) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905960 0.86 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